1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine

C15H24N2 — CID 115205117

IUPAC1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine
SMILESCC(C)(N)CCCNc1ccc2c(c1)CCC2
InChIInChI=1S/C15H24N2/c1-15(2,16)9-4-10-17-14-8-7-12-5-3-6-13(12)11-14/h7-8,11,17H,3-6,9-10,16H2,1-2H3
InChIKeyAQCMUVFVNMHUII-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.10
Rot. Bonds5

About 1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine

1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine (PubChem CID 115205117) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine
PubChem CID115205117
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine
SMILESCC(C)(N)CCCNc1ccc2c(c1)CCC2
InChIInChI=1S/C15H24N2/c1-15(2,16)9-4-10-17-14-8-7-12-5-3-6-13(12)11-14/h7-8,11,17H,3-6,9-10,16H2,1-2H3
InChIKeyAQCMUVFVNMHUII-UHFFFAOYSA-N
XLogP3.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine
CID 114209369
N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
CID 59229873
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine
CID 64554180
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115197636
4-amino-4-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanamide
CID 115157489
6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115205137
N'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 82490968
N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine
CID 115205551
N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
CID 115226489
N-(3-phenoxypropyl)-2,3-dihydro-1H-inden-5-amine
CID 60679696
N-tert-butyl-2,3-dihydro-1H-inden-5-amine;ethane
CID 167619505
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine
CID 54961387

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine?
The IUPAC name of 1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine (CID 115205117) is 1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine.
What is the SMILES notation for 1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine?
The canonical SMILES for 1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine is CC(C)(N)CCCNc1ccc2c(c1)CCC2.
What is the InChIKey of 1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine?
The InChIKey is AQCMUVFVNMHUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(2,16)9-4-10-17-14-8-7-12-5-3-6-13(12)11-14/h7-8,11,17H,3-6,9-10,16H2,1-2H3.
What are the key properties of 1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine?
1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine is sourced from PubChem (CID 115205117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).