6-(5-ethyl-1-methyl-3-propyl-3a,7a-dihydro-1H-inden-2-yl)hexan-1-amine

C21H35N — CID 142978171

IUPAC6-(5-ethyl-1-methyl-3-propyl-3a,7a-dihydro-1H-inden-2-yl)hexan-1-amine
SMILESCCCC1=C(CCCCCCN)C(C)C2C=CC(CC)=CC12
InChIInChI=1S/C21H35N/c1-4-10-20-18(11-8-6-7-9-14-22)16(3)19-13-12-17(5-2)15-21(19)20/h12-13,15-16,19,21H,4-11,14,22H2,1-3H3
InChIKeyIKFZIPPAUUXXCR-UHFFFAOYSA-N
MW301.52 g/mol
LogP5.78
Rot. Bonds9

About 6-(5-ethyl-1-methyl-3-propyl-3a,7a-dihydro-1H-inden-2-yl)hexan-1-amine

6-(5-ethyl-1-methyl-3-propyl-3a,7a-dihydro-1H-inden-2-yl)hexan-1-amine (PubChem CID 142978171) has the molecular formula C21H35N and a molecular weight of 301.52 g/mol. Its IUPAC name is 6-(5-ethyl-1-methyl-3-propyl-3a,7a-dihydro-1H-inden-2-yl)hexan-1-amine.

Molecular Properties

Compound Name6-(5-ethyl-1-methyl-3-propyl-3a,7a-dihydro-1H-inden-2-yl)hexan-1-amine
PubChem CID142978171
Molecular FormulaC21H35N
Molecular Weight301.52 g/mol
Exact Mass301.28
IUPAC Name6-(5-ethyl-1-methyl-3-propyl-3a,7a-dihydro-1H-inden-2-yl)hexan-1-amine
SMILESCCCC1=C(CCCCCCN)C(C)C2C=CC(CC)=CC12
InChIInChI=1S/C21H35N/c1-4-10-20-18(11-8-6-7-9-14-22)16(3)19-13-12-17(5-2)15-21(19)20/h12-13,15-16,19,21H,4-11,14,22H2,1-3H3
InChIKeyIKFZIPPAUUXXCR-UHFFFAOYSA-N
XLogP5.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.52
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(5-ethyl-1-methyl-3-propyl-3a,7a-dihydro-1H-inden-2-yl)hexan-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

6-(4-propylphenyl)hexan-1-amine
CID 65300510
(6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene
CID 130459982
6,6-diamino-3-ethylcyclohexa-2,4-dien-1-ol
CID 150354551
2-butyl-5-methylcyclopenta-1,3-diene;zirconium
CID 174290613
2-butyl-5-methylcyclopenta-1,3-diene;hafnium
CID 174884437
5-(2-pentylphenyl)pentan-1-amine
CID 54207535
bis(3-ethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
CID 139667907
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497

Frequently Asked Questions

What is the IUPAC name of 6-(5-ethyl-1-methyl-3-propyl-3a,7a-dihydro-1H-inden-2-yl)hexan-1-amine?
The IUPAC name of 6-(5-ethyl-1-methyl-3-propyl-3a,7a-dihydro-1H-inden-2-yl)hexan-1-amine (CID 142978171) is 6-(5-ethyl-1-methyl-3-propyl-3a,7a-dihydro-1H-inden-2-yl)hexan-1-amine.
What is the SMILES notation for 6-(5-ethyl-1-methyl-3-propyl-3a,7a-dihydro-1H-inden-2-yl)hexan-1-amine?
The canonical SMILES for 6-(5-ethyl-1-methyl-3-propyl-3a,7a-dihydro-1H-inden-2-yl)hexan-1-amine is CCCC1=C(CCCCCCN)C(C)C2C=CC(CC)=CC12.
What is the InChIKey of 6-(5-ethyl-1-methyl-3-propyl-3a,7a-dihydro-1H-inden-2-yl)hexan-1-amine?
The InChIKey is IKFZIPPAUUXXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N/c1-4-10-20-18(11-8-6-7-9-14-22)16(3)19-13-12-17(5-2)15-21(19)20/h12-13,15-16,19,21H,4-11,14,22H2,1-3H3.
What are the key properties of 6-(5-ethyl-1-methyl-3-propyl-3a,7a-dihydro-1H-inden-2-yl)hexan-1-amine?
6-(5-ethyl-1-methyl-3-propyl-3a,7a-dihydro-1H-inden-2-yl)hexan-1-amine has a molecular weight of 301.52 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethyl-1-methyl-3-propyl-3a,7a-dihydro-1H-inden-2-yl)hexan-1-amine is sourced from PubChem (CID 142978171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).