N-[(3,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pent-4-en-1-amine

C14H23NO2 — CID 143275223

IUPACN-[(3,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pent-4-en-1-amine
SMILESC=CCCCNCC1C=C(OC)C=CC1OC
InChIInChI=1S/C14H23NO2/c1-4-5-6-9-15-11-12-10-13(16-2)7-8-14(12)17-3/h4,7-8,10,12,14-15H,1,5-6,9,11H2,2-3H3
InChIKeyGDRQKZPBZSHZIC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.27
Rot. Bonds8

About N-[(3,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pent-4-en-1-amine

N-[(3,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pent-4-en-1-amine (PubChem CID 143275223) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(3,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pent-4-en-1-amine.

Molecular Properties

Compound NameN-[(3,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pent-4-en-1-amine
PubChem CID143275223
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(3,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pent-4-en-1-amine
SMILESC=CCCCNCC1C=C(OC)C=CC1OC
InChIInChI=1S/C14H23NO2/c1-4-5-6-9-15-11-12-10-13(16-2)7-8-14(12)17-3/h4,7-8,10,12,14-15H,1,5-6,9,11H2,2-3H3
InChIKeyGDRQKZPBZSHZIC-UHFFFAOYSA-N
XLogP2.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pent-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

3-cyclohexa-1,5-dien-1-yl-3-methoxy-N-methylpropan-1-amine
CID 68082938
4-(5-Methylcyclohepta-1,3,6-trien-1-yl)oxypiperidine
CID 70917166
N-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine
CID 88583271
1-(3-methoxycyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 88997268
[(1S)-4,6-dimethoxycyclohexa-2,4-dien-1-yl]methanamine
CID 117706863
(2,6-Dimethoxycyclohexa-2,4-dien-1-yl)methanamine
CID 123697876
N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine
CID 126706515
2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine
CID 130246395
N-[(6-methoxycyclohexa-2,4-dien-1-yl)methyl]propan-2-amine
CID 134219453
N-[2-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine
CID 134402328
N-tert-butyl-2,5-dimethoxy-6-methylcyclohexa-1,3-dien-1-amine
CID 134513488
(3E,5Z)-2,4-dimethoxynona-3,5-diene;ethane;4-methylpiperidine
CID 141941011

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pent-4-en-1-amine?
The IUPAC name of N-[(3,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pent-4-en-1-amine (CID 143275223) is N-[(3,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pent-4-en-1-amine.
What is the SMILES notation for N-[(3,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pent-4-en-1-amine?
The canonical SMILES for N-[(3,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pent-4-en-1-amine is C=CCCCNCC1C=C(OC)C=CC1OC.
What is the InChIKey of N-[(3,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pent-4-en-1-amine?
The InChIKey is GDRQKZPBZSHZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-5-6-9-15-11-12-10-13(16-2)7-8-14(12)17-3/h4,7-8,10,12,14-15H,1,5-6,9,11H2,2-3H3.
What are the key properties of N-[(3,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pent-4-en-1-amine?
N-[(3,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pent-4-en-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pent-4-en-1-amine is sourced from PubChem (CID 143275223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).