1-naphthalen-2-yl-4-propylcycloheptan-1-amine

C20H27N — CID 65086646

IUPAC1-naphthalen-2-yl-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H27N/c1-2-6-16-7-5-13-20(21,14-12-16)19-11-10-17-8-3-4-9-18(17)15-19/h3-4,8-11,15-16H,2,5-7,12-14,21H2,1H3
InChIKeyAXFJJEFICPHJSU-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.37
Rot. Bonds3

About 1-naphthalen-2-yl-4-propylcycloheptan-1-amine

1-naphthalen-2-yl-4-propylcycloheptan-1-amine (PubChem CID 65086646) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-naphthalen-2-yl-4-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-naphthalen-2-yl-4-propylcycloheptan-1-amine
PubChem CID65086646
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-naphthalen-2-yl-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H27N/c1-2-6-16-7-5-13-20(21,14-12-16)19-11-10-17-8-3-4-9-18(17)15-19/h3-4,8-11,15-16H,2,5-7,12-14,21H2,1H3
InChIKeyAXFJJEFICPHJSU-UHFFFAOYSA-N
XLogP5.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-Naphthyl)ethylamine
CID 98089
1-(Naphthalen-2-yl)ethan-1-amine
CID 3857145
alpha-Methyl-2-naphthaleneethanamine
CID 10219723
1-(2-Naphthyl)methanamine
CID 137282
1-Naphthalenemethanamine, alpha-methyl-, (alphaS)-
CID 66325
(+)-1-(1-Naphthyl)ethylamine
CID 2724264
2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
CID 15657682
4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine
CID 19107014
9-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
CID 19107110
1-(3-Methylphenyl)cyclohexanamine
CID 36133764
(1S)-1-(naphthalen-2-yl)ethan-1-amine
CID 1201503
(1R)-1-(naphthalen-2-yl)ethan-1-amine
CID 1798835

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-4-propylcycloheptan-1-amine?
The IUPAC name of 1-naphthalen-2-yl-4-propylcycloheptan-1-amine (CID 65086646) is 1-naphthalen-2-yl-4-propylcycloheptan-1-amine.
What is the SMILES notation for 1-naphthalen-2-yl-4-propylcycloheptan-1-amine?
The canonical SMILES for 1-naphthalen-2-yl-4-propylcycloheptan-1-amine is CCCC1CCCC(N)(c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-naphthalen-2-yl-4-propylcycloheptan-1-amine?
The InChIKey is AXFJJEFICPHJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-2-6-16-7-5-13-20(21,14-12-16)19-11-10-17-8-3-4-9-18(17)15-19/h3-4,8-11,15-16H,2,5-7,12-14,21H2,1H3.
What are the key properties of 1-naphthalen-2-yl-4-propylcycloheptan-1-amine?
1-naphthalen-2-yl-4-propylcycloheptan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65086646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).