N-heptan-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine

C19H31N — CID 115531929

IUPACN-heptan-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
SMILESCCCCCC(C)NC1c2ccccc2CCC1(C)C
InChIInChI=1S/C19H31N/c1-5-6-7-10-15(2)20-18-17-12-9-8-11-16(17)13-14-19(18,3)4/h8-9,11-12,15,18,20H,5-7,10,13-14H2,1-4H3
InChIKeyDJJBEEBJDLHNQR-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.26
Rot. Bonds6

About N-heptan-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine

N-heptan-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine (PubChem CID 115531929) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-heptan-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound NameN-heptan-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
PubChem CID115531929
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-heptan-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
SMILESCCCCCC(C)NC1c2ccccc2CCC1(C)C
InChIInChI=1S/C19H31N/c1-5-6-7-10-15(2)20-18-17-12-9-8-11-16(17)13-14-19(18,3)4/h8-9,11-12,15,18,20H,5-7,10,13-14H2,1-4H3
InChIKeyDJJBEEBJDLHNQR-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.26
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

N-nonan-2-yl-2,3-dihydro-1H-inden-1-amine
CID 43129999
N-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 113480827
2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531808
3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol
CID 83177492
4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol
CID 113329803
(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol
CID 114266891
methyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate
CID 115531954
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 113329785
N'-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)propane-1,3-diamine
CID 113329793
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropanenitrile
CID 113329799
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531971

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The IUPAC name of N-heptan-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine (CID 115531929) is N-heptan-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for N-heptan-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for N-heptan-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine is CCCCCC(C)NC1c2ccccc2CCC1(C)C.
What is the InChIKey of N-heptan-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The InChIKey is DJJBEEBJDLHNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-6-7-10-15(2)20-18-17-12-9-8-11-16(17)13-14-19(18,3)4/h8-9,11-12,15,18,20H,5-7,10,13-14H2,1-4H3.
What are the key properties of N-heptan-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
N-heptan-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 115531929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).