N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine

C13H25NO — CID 123623340

IUPACN-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine
SMILESC=C(C=C(C)OC)CCN(CC)CCC
InChIInChI=1S/C13H25NO/c1-6-9-14(7-2)10-8-12(3)11-13(4)15-5/h11H,3,6-10H2,1-2,4-5H3
InChIKeyRSMQVYHDQIAGMY-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.21
Rot. Bonds8

About N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine

N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine (PubChem CID 123623340) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine
PubChem CID123623340
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine
SMILESC=C(C=C(C)OC)CCN(CC)CCC
InChIInChI=1S/C13H25NO/c1-6-9-14(7-2)10-8-12(3)11-13(4)15-5/h11H,3,6-10H2,1-2,4-5H3
InChIKeyRSMQVYHDQIAGMY-UHFFFAOYSA-N
XLogP3.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-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

2-Diethyl-amino-3-[(2-methyl)prop-1-en-1-yl]-6-methyl-4h-pyran
CID 13815686
N,N-diethyl-6-methyl-3-[(Z)-prop-1-enyl]-4H-pyran-2-amine
CID 134921126
(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate
CID 134966484
1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine
CID 118057989
1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine
CID 118058189
1-(6-Ethoxy-4-methylidenehept-5-enyl)pyrrolidine
CID 123449819
4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine
CID 123491650
N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 123792144
(4E,6Z)-N-(cyclopropylmethyl)-N-ethyl-4-methoxyocta-4,6-dien-1-amine
CID 138739942
(3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine
CID 139539796
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
CID 143205447
ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine
CID 143262741

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine?
The IUPAC name of N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine (CID 123623340) is N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine.
What is the SMILES notation for N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine?
The canonical SMILES for N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine is C=C(C=C(C)OC)CCN(CC)CCC.
What is the InChIKey of N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine?
The InChIKey is RSMQVYHDQIAGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-9-14(7-2)10-8-12(3)11-13(4)15-5/h11H,3,6-10H2,1-2,4-5H3.
What are the key properties of N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine?
N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine is sourced from PubChem (CID 123623340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).