N-[(2-methylcyclohexyl)methyl]nonan-2-amine

C17H35N — CID 63455367

IUPACN-[(2-methylcyclohexyl)methyl]nonan-2-amine
SMILESCCCCCCCC(C)NCC1CCCCC1C
InChIInChI=1S/C17H35N/c1-4-5-6-7-8-12-16(3)18-14-17-13-10-9-11-15(17)2/h15-18H,4-14H2,1-3H3
InChIKeyTYRPLWWMOQDORN-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.15
Rot. Bonds9

About N-[(2-methylcyclohexyl)methyl]nonan-2-amine

N-[(2-methylcyclohexyl)methyl]nonan-2-amine (PubChem CID 63455367) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-[(2-methylcyclohexyl)methyl]nonan-2-amine.

Molecular Properties

Compound NameN-[(2-methylcyclohexyl)methyl]nonan-2-amine
PubChem CID63455367
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-[(2-methylcyclohexyl)methyl]nonan-2-amine
SMILESCCCCCCCC(C)NCC1CCCCC1C
InChIInChI=1S/C17H35N/c1-4-5-6-7-8-12-16(3)18-14-17-13-10-9-11-15(17)2/h15-18H,4-14H2,1-3H3
InChIKeyTYRPLWWMOQDORN-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclohexyl)methyl]nonan-2-amine?
The IUPAC name of N-[(2-methylcyclohexyl)methyl]nonan-2-amine (CID 63455367) is N-[(2-methylcyclohexyl)methyl]nonan-2-amine.
What is the SMILES notation for N-[(2-methylcyclohexyl)methyl]nonan-2-amine?
The canonical SMILES for N-[(2-methylcyclohexyl)methyl]nonan-2-amine is CCCCCCCC(C)NCC1CCCCC1C.
What is the InChIKey of N-[(2-methylcyclohexyl)methyl]nonan-2-amine?
The InChIKey is TYRPLWWMOQDORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-4-5-6-7-8-12-16(3)18-14-17-13-10-9-11-15(17)2/h15-18H,4-14H2,1-3H3.
What are the key properties of N-[(2-methylcyclohexyl)methyl]nonan-2-amine?
N-[(2-methylcyclohexyl)methyl]nonan-2-amine has a molecular weight of 253.47 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclohexyl)methyl]nonan-2-amine is sourced from PubChem (CID 63455367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).