5-[(Z)-but-2-en-2-yl]oxy-N,6-dimethylhept-5-en-1-amine

C13H25NO — CID 177320227

IUPAC5-[(Z)-but-2-en-2-yl]oxy-N,6-dimethylhept-5-en-1-amine
SMILESC/C=C(/C)OC(CCCCNC)=C(C)C
InChIInChI=1S/C13H25NO/c1-6-12(4)15-13(11(2)3)9-7-8-10-14-5/h6,14H,7-10H2,1-5H3/b12-6-
InChIKeyMFDWHTTWBXQWDT-SDQBBNPISA-N
MW211.35 g/mol
LogP3.61
Rot. Bonds7

About 5-[(Z)-but-2-en-2-yl]oxy-N,6-dimethylhept-5-en-1-amine

5-[(Z)-but-2-en-2-yl]oxy-N,6-dimethylhept-5-en-1-amine (PubChem CID 177320227) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-[(Z)-but-2-en-2-yl]oxy-N,6-dimethylhept-5-en-1-amine.

Molecular Properties

Compound Name5-[(Z)-but-2-en-2-yl]oxy-N,6-dimethylhept-5-en-1-amine
PubChem CID177320227
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-[(Z)-but-2-en-2-yl]oxy-N,6-dimethylhept-5-en-1-amine
SMILESC/C=C(/C)OC(CCCCNC)=C(C)C
InChIInChI=1S/C13H25NO/c1-6-12(4)15-13(11(2)3)9-7-8-10-14-5/h6,14H,7-10H2,1-5H3/b12-6-
InChIKeyMFDWHTTWBXQWDT-SDQBBNPISA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(Z)-but-2-en-2-yl]oxy-N,6-dimethylhept-5-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

1,4-cyclohexadiene-1-ethanamine, 5-methoxy-N-methyl-
CID 637853
1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 123390807
(E)-6-methoxy-N-methylnon-6-en-1-amine
CID 174273360
N,5-dimethyl-4-[(Z)-pent-2-en-2-yl]oxyhex-4-en-1-amine
CID 177319659
3-[(2Z,7E)-3,8-dimethyl-5,6-dihydro-4H-oxocin-2-yl]-N-methylpropan-1-amine
CID 177319745
5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine
CID 177319959
(E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine
CID 177319970
4-(3,7-Dimethyl-4,5-dihydrooxepin-2-yl)butan-1-amine
CID 177320186
N,6-dimethyl-5-[(Z)-pent-2-en-2-yl]oxyhept-5-en-1-amine
CID 177320209
2-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylethanamine
CID 12400613

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-2-en-2-yl]oxy-N,6-dimethylhept-5-en-1-amine?
The IUPAC name of 5-[(Z)-but-2-en-2-yl]oxy-N,6-dimethylhept-5-en-1-amine (CID 177320227) is 5-[(Z)-but-2-en-2-yl]oxy-N,6-dimethylhept-5-en-1-amine.
What is the SMILES notation for 5-[(Z)-but-2-en-2-yl]oxy-N,6-dimethylhept-5-en-1-amine?
The canonical SMILES for 5-[(Z)-but-2-en-2-yl]oxy-N,6-dimethylhept-5-en-1-amine is C/C=C(/C)OC(CCCCNC)=C(C)C.
What is the InChIKey of 5-[(Z)-but-2-en-2-yl]oxy-N,6-dimethylhept-5-en-1-amine?
The InChIKey is MFDWHTTWBXQWDT-SDQBBNPISA-N. The full InChI is InChI=1S/C13H25NO/c1-6-12(4)15-13(11(2)3)9-7-8-10-14-5/h6,14H,7-10H2,1-5H3/b12-6-.
What are the key properties of 5-[(Z)-but-2-en-2-yl]oxy-N,6-dimethylhept-5-en-1-amine?
5-[(Z)-but-2-en-2-yl]oxy-N,6-dimethylhept-5-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-2-en-2-yl]oxy-N,6-dimethylhept-5-en-1-amine is sourced from PubChem (CID 177320227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).