N-cyclohexyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-amine

C17H27N — CID 134905769

IUPACN-cyclohexyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-amine
SMILESCC12CC=C(NC3CCCCC3)C=C1CCCC2
InChIInChI=1S/C17H27N/c1-17-11-6-5-7-14(17)13-16(10-12-17)18-15-8-3-2-4-9-15/h10,13,15,18H,2-9,11-12H2,1H3
InChIKeyMINTVKRLQHWXOF-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.70
Rot. Bonds2

About N-cyclohexyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-amine

N-cyclohexyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-amine (PubChem CID 134905769) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-cyclohexyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-amine
PubChem CID134905769
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-cyclohexyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-amine
SMILESCC12CC=C(NC3CCCCC3)C=C1CCCC2
InChIInChI=1S/C17H27N/c1-17-11-6-5-7-14(17)13-16(10-12-17)18-15-8-3-2-4-9-15/h10,13,15,18H,2-9,11-12H2,1H3
InChIKeyMINTVKRLQHWXOF-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-amine?
The IUPAC name of N-cyclohexyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-amine (CID 134905769) is N-cyclohexyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-amine.
What is the SMILES notation for N-cyclohexyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-amine?
The canonical SMILES for N-cyclohexyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-amine is CC12CC=C(NC3CCCCC3)C=C1CCCC2.
What is the InChIKey of N-cyclohexyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-amine?
The InChIKey is MINTVKRLQHWXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-17-11-6-5-7-14(17)13-16(10-12-17)18-15-8-3-2-4-9-15/h10,13,15,18H,2-9,11-12H2,1H3.
What are the key properties of N-cyclohexyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-amine?
N-cyclohexyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-amine is sourced from PubChem (CID 134905769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).