N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine

C16H25N — CID 114209369

IUPACN-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine
SMILESCC(C)(C)CCCNc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25N/c1-16(2,3)10-5-11-17-15-9-8-13-6-4-7-14(13)12-15/h8-9,12,17H,4-7,10-11H2,1-3H3
InChIKeyTZNQMXDFGYVWGW-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.41
Rot. Bonds4

About N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine

N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 114209369) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine
PubChem CID114209369
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine
SMILESCC(C)(C)CCCNc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25N/c1-16(2,3)10-5-11-17-15-9-8-13-6-4-7-14(13)12-15/h8-9,12,17H,4-7,10-11H2,1-3H3
InChIKeyTZNQMXDFGYVWGW-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine
CID 115205117
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
N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
CID 59229873
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'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 82490968
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
N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-5-amine
CID 81095205
N-(4,4-dimethylpentyl)-4-fluoroaniline
CID 69410381

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine (CID 114209369) is N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine is CC(C)(C)CCCNc1ccc2c(c1)CCC2.
What is the InChIKey of N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is TZNQMXDFGYVWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-16(2,3)10-5-11-17-15-9-8-13-6-4-7-14(13)12-15/h8-9,12,17H,4-7,10-11H2,1-3H3.
What are the key properties of N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine?
N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 231.38 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 114209369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).