4-methyl-N-[(2-methylcyclopentyl)methyl]-4-phenylpentan-2-amine

C19H31N — CID 107417617

IUPAC4-methyl-N-[(2-methylcyclopentyl)methyl]-4-phenylpentan-2-amine
SMILESCC(CC(C)(C)c1ccccc1)NCC1CCCC1C
InChIInChI=1S/C19H31N/c1-15-9-8-10-17(15)14-20-16(2)13-19(3,4)18-11-6-5-7-12-18/h5-7,11-12,15-17,20H,8-10,13-14H2,1-4H3
InChIKeyLVGCBGHZDDMVGU-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.77
Rot. Bonds6

About 4-methyl-N-[(2-methylcyclopentyl)methyl]-4-phenylpentan-2-amine

4-methyl-N-[(2-methylcyclopentyl)methyl]-4-phenylpentan-2-amine (PubChem CID 107417617) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 4-methyl-N-[(2-methylcyclopentyl)methyl]-4-phenylpentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(2-methylcyclopentyl)methyl]-4-phenylpentan-2-amine
PubChem CID107417617
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name4-methyl-N-[(2-methylcyclopentyl)methyl]-4-phenylpentan-2-amine
SMILESCC(CC(C)(C)c1ccccc1)NCC1CCCC1C
InChIInChI=1S/C19H31N/c1-15-9-8-10-17(15)14-20-16(2)13-19(3,4)18-11-6-5-7-12-18/h5-7,11-12,15-17,20H,8-10,13-14H2,1-4H3
InChIKeyLVGCBGHZDDMVGU-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methylcyclopentyl)methyl]-4-phenylpentan-2-amine?
The IUPAC name of 4-methyl-N-[(2-methylcyclopentyl)methyl]-4-phenylpentan-2-amine (CID 107417617) is 4-methyl-N-[(2-methylcyclopentyl)methyl]-4-phenylpentan-2-amine.
What is the SMILES notation for 4-methyl-N-[(2-methylcyclopentyl)methyl]-4-phenylpentan-2-amine?
The canonical SMILES for 4-methyl-N-[(2-methylcyclopentyl)methyl]-4-phenylpentan-2-amine is CC(CC(C)(C)c1ccccc1)NCC1CCCC1C.
What is the InChIKey of 4-methyl-N-[(2-methylcyclopentyl)methyl]-4-phenylpentan-2-amine?
The InChIKey is LVGCBGHZDDMVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-15-9-8-10-17(15)14-20-16(2)13-19(3,4)18-11-6-5-7-12-18/h5-7,11-12,15-17,20H,8-10,13-14H2,1-4H3.
What are the key properties of 4-methyl-N-[(2-methylcyclopentyl)methyl]-4-phenylpentan-2-amine?
4-methyl-N-[(2-methylcyclopentyl)methyl]-4-phenylpentan-2-amine has a molecular weight of 273.46 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methylcyclopentyl)methyl]-4-phenylpentan-2-amine is sourced from PubChem (CID 107417617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).