2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine

C17H27N — CID 115531808

IUPAC2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
SMILESCC(C)CCNC1c2ccccc2CCC1(C)C
InChIInChI=1S/C17H27N/c1-13(2)10-12-18-16-15-8-6-5-7-14(15)9-11-17(16,3)4/h5-8,13,16,18H,9-12H2,1-4H3
InChIKeyTUGKVDUDNLMXSP-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.34
Rot. Bonds4

About 2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine

2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine (PubChem CID 115531808) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
PubChem CID115531808
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
SMILESCC(C)CCNC1c2ccccc2CCC1(C)C
InChIInChI=1S/C17H27N/c1-13(2)10-12-18-16-15-8-6-5-7-14(15)9-11-17(16,3)4/h5-8,13,16,18H,9-12H2,1-4H3
InChIKeyTUGKVDUDNLMXSP-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-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

4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol
CID 113329803
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 113329785
(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol
CID 114266891
N'-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)propane-1,3-diamine
CID 113329793
5-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]pentan-1-ol
CID 104577689
2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115532219
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
1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 115531864
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531836
N-heptan-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531929

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine (CID 115531808) is 2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine is CC(C)CCNC1c2ccccc2CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine?
The InChIKey is TUGKVDUDNLMXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)10-12-18-16-15-8-6-5-7-14(15)9-11-17(16,3)4/h5-8,13,16,18H,9-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine?
2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 115531808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).