3-(cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine

C14H25NO — CID 143260495

IUPAC3-(cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine
SMILESCCCC(N)C(CC)OCC1=CC=CCC1
InChIInChI=1S/C14H25NO/c1-3-8-13(15)14(4-2)16-11-12-9-6-5-7-10-12/h5-6,9,13-14H,3-4,7-8,10-11,15H2,1-2H3
InChIKeyXNTJTIMAXXXXNI-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.19
Rot. Bonds7

About 3-(cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine

3-(cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine (PubChem CID 143260495) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-(cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine.

Molecular Properties

Compound Name3-(cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine
PubChem CID143260495
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-(cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine
SMILESCCCC(N)C(CC)OCC1=CC=CCC1
InChIInChI=1S/C14H25NO/c1-3-8-13(15)14(4-2)16-11-12-9-6-5-7-10-12/h5-6,9,13-14H,3-4,7-8,10-11,15H2,1-2H3
InChIKeyXNTJTIMAXXXXNI-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-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

(Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine
CID 129313612
2-[(E)-oct-1-enyl]oxan-3-amine
CID 21753848
2-[(E)-non-1-enyl]oxan-3-amine
CID 21753887
4-Cyclopentyloxy-5-ethylcyclohexa-2,4-dien-1-amine
CID 70974500
(1S,2R,3R)-5-methyl-3-pentan-3-yloxycyclohex-4-ene-1,2-diamine
CID 71026500
5-(2-Methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine
CID 123645511
[(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine
CID 129015898
(1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine
CID 129016069
[(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine
CID 134408152
1-(5-Methoxycyclohepta-1,3,6-trien-1-yl)propan-2-amine
CID 142243694
5-ethenyl-4-prop-1-en-2-yl-3,6-dihydro-2H-pyran-3-amine
CID 142279302
2-[2-(3-Aminopropyl)cyclohexa-2,4-dien-1-yl]oxypropan-1-amine
CID 142994221

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine?
The IUPAC name of 3-(cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine (CID 143260495) is 3-(cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine.
What is the SMILES notation for 3-(cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine?
The canonical SMILES for 3-(cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine is CCCC(N)C(CC)OCC1=CC=CCC1.
What is the InChIKey of 3-(cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine?
The InChIKey is XNTJTIMAXXXXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-8-13(15)14(4-2)16-11-12-9-6-5-7-10-12/h5-6,9,13-14H,3-4,7-8,10-11,15H2,1-2H3.
What are the key properties of 3-(cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine?
3-(cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine has a molecular weight of 223.36 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexa-1,3-dien-1-ylmethoxy)heptan-4-amine is sourced from PubChem (CID 143260495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).