3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine

C16H25N — CID 116925103

IUPAC3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
SMILESCC(C)(CCN)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H25N/c1-16(2,9-10-17)12-13-7-8-14-5-3-4-6-15(14)11-13/h7-8,11H,3-6,9-10,12,17H2,1-2H3
InChIKeyHGOUHOGENYILTQ-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.48
Rot. Bonds4

About 3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine

3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine (PubChem CID 116925103) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
PubChem CID116925103
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
SMILESCC(C)(CCN)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H25N/c1-16(2,9-10-17)12-13-7-8-14-5-3-4-6-15(14)11-13/h7-8,11H,3-6,9-10,12,17H2,1-2H3
InChIKeyHGOUHOGENYILTQ-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204299
2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116927629
2,2-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116934441
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 116838499
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpentan-2-amine
CID 115629541
5,6,7,8-tetrahydronaphthalen-2-ylmethanamine;hydrochloride
CID 18993882
2-(2,3-dihydro-1H-inden-5-yl)ethanamine;hydrochloride
CID 135381745
N'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 82490968
5-(2,3-dihydro-1H-inden-5-yl)-N,3,3-trimethylpentan-1-amine
CID 65303621
1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66037730
8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 134590925

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine (CID 116925103) is 3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine is CC(C)(CCN)Cc1ccc2c(c1)CCCC2.
What is the InChIKey of 3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine?
The InChIKey is HGOUHOGENYILTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-16(2,9-10-17)12-13-7-8-14-5-3-4-6-15(14)11-13/h7-8,11H,3-6,9-10,12,17H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine?
3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine is sourced from PubChem (CID 116925103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).