2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine

C18H29N — CID 63509068

IUPAC2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCc1ccccc1CC1(CNC(C)(C)C)CCCC1
InChIInChI=1S/C18H29N/c1-15-9-5-6-10-16(15)13-18(11-7-8-12-18)14-19-17(2,3)4/h5-6,9-10,19H,7-8,11-14H2,1-4H3
InChIKeyMOJWNZIQXZBZNQ-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.49
Rot. Bonds4

About 2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine

2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine (PubChem CID 63509068) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
PubChem CID63509068
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCc1ccccc1CC1(CNC(C)(C)C)CCCC1
InChIInChI=1S/C18H29N/c1-15-9-5-6-10-16(15)13-18(11-7-8-12-18)14-19-17(2,3)4/h5-6,9-10,19H,7-8,11-14H2,1-4H3
InChIKeyMOJWNZIQXZBZNQ-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine (CID 63509068) is 2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine is Cc1ccccc1CC1(CNC(C)(C)C)CCCC1.
What is the InChIKey of 2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine?
The InChIKey is MOJWNZIQXZBZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-15-9-5-6-10-16(15)13-18(11-7-8-12-18)14-19-17(2,3)4/h5-6,9-10,19H,7-8,11-14H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine?
2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine has a molecular weight of 259.44 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(2-methylphenyl)methyl]cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 63509068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).