(Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine

C25H38N4O2 — CID 173480711

IUPAC(Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine
SMILESC=C(N=C/C=C\N)N(C)CC1(c2ccc(OCCCN3CCCC3)cc2)CCOCC1
InChIInChI=1S/C25H38N4O2/c1-22(27-14-5-13-26)28(2)21-25(11-19-30-20-12-25)23-7-9-24(10-8-23)31-18-6-17-29-15-3-4-16-29/h5,7-10,13-14H,1,3-4,6,11-12,15-21,26H2,2H3/b13-5-,27-14?
InChIKeyKVQOYQJYSJORPQ-FQWGNNOASA-N
MW426.61 g/mol
LogP3.55
Rot. Bonds11

About (Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine

(Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine (PubChem CID 173480711) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is (Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine
PubChem CID173480711
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC Name(Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine
SMILESC=C(N=C/C=C\N)N(C)CC1(c2ccc(OCCCN3CCCC3)cc2)CCOCC1
InChIInChI=1S/C25H38N4O2/c1-22(27-14-5-13-26)28(2)21-25(11-19-30-20-12-25)23-7-9-24(10-8-23)31-18-6-17-29-15-3-4-16-29/h5,7-10,13-14H,1,3-4,6,11-12,15-21,26H2,2H3/b13-5-,27-14?
InChIKeyKVQOYQJYSJORPQ-FQWGNNOASA-N
XLogP3.55
TPSA63.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]ethanamine
CID 11653402
N,N,N'-trimethyl-N'-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]ethane-1,2-diamine
CID 68576692
N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine
CID 68577910
N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclohexanamine
CID 68576619
[4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine
CID 11515488
N,N-dimethyl-1-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine;N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-amine
CID 158206148
N-(dimethylaminomethylidene)-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 68578480
ethyl 4-[3-[4-[4-[(dimethylamino)methyl]oxan-4-yl]phenoxy]propyl]piperazine-1-carboxylate
CID 59837463
4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]morpholine
CID 11545550
N,N-dimethyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 68575652
ethyl 4-[[4-[4-[3-(azepan-1-yl)propoxy]phenyl]oxan-4-yl]methyl]piperazine-1-carboxylate
CID 143132641
N-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine
CID 90860071

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine?
The IUPAC name of (Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine (CID 173480711) is (Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine is C=C(N=C/C=C\N)N(C)CC1(c2ccc(OCCCN3CCCC3)cc2)CCOCC1.
What is the InChIKey of (Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine?
The InChIKey is KVQOYQJYSJORPQ-FQWGNNOASA-N. The full InChI is InChI=1S/C25H38N4O2/c1-22(27-14-5-13-26)28(2)21-25(11-19-30-20-12-25)23-7-9-24(10-8-23)31-18-6-17-29-15-3-4-16-29/h5,7-10,13-14H,1,3-4,6,11-12,15-21,26H2,2H3/b13-5-,27-14?.
What are the key properties of (Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine?
(Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine has a molecular weight of 426.61 g/mol, XLogP of 3.55, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[1-[methyl-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]amino]ethenylimino]prop-1-en-1-amine is sourced from PubChem (CID 173480711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).