N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine

C18H28N2 — CID 59231229

IUPACN-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCc1ccc(NCC2CCC(N)CC2)c2c1CCCC2
InChIInChI=1S/C18H28N2/c1-13-6-11-18(17-5-3-2-4-16(13)17)20-12-14-7-9-15(19)10-8-14/h6,11,14-15,20H,2-5,7-10,12,19H2,1H3
InChIKeyADBWFLRABXTNRR-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.80
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine

N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 59231229) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID59231229
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCc1ccc(NCC2CCC(N)CC2)c2c1CCCC2
InChIInChI=1S/C18H28N2/c1-13-6-11-18(17-5-3-2-4-16(13)17)20-12-14-7-9-15(19)10-8-14/h6,11,14-15,20H,2-5,7-10,12,19H2,1H3
InChIKeyADBWFLRABXTNRR-UHFFFAOYSA-N
XLogP3.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine (CID 59231229) is N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine is Cc1ccc(NCC2CCC(N)CC2)c2c1CCCC2.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is ADBWFLRABXTNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13-6-11-18(17-5-3-2-4-16(13)17)20-12-14-7-9-15(19)10-8-14/h6,11,14-15,20H,2-5,7-10,12,19H2,1H3.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine?
N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 59231229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).