N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine

C16H26N2 — CID 78912363

IUPACN,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine
SMILESCc1ccccc1CNCC1(N(C)C)CCCC1
InChIInChI=1S/C16H26N2/c1-14-8-4-5-9-15(14)12-17-13-16(18(2)3)10-6-7-11-16/h4-5,8-9,17H,6-7,10-13H2,1-3H3
InChIKeyBVVCHAQNNKTGJZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.96
Rot. Bonds5

About N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine

N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine (PubChem CID 78912363) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine
PubChem CID78912363
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine
SMILESCc1ccccc1CNCC1(N(C)C)CCCC1
InChIInChI=1S/C16H26N2/c1-14-8-4-5-9-15(14)12-17-13-16(18(2)3)10-6-7-11-16/h4-5,8-9,17H,6-7,10-13H2,1-3H3
InChIKeyBVVCHAQNNKTGJZ-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine (CID 78912363) is N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine is Cc1ccccc1CNCC1(N(C)C)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine?
The InChIKey is BVVCHAQNNKTGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14-8-4-5-9-15(14)12-17-13-16(18(2)3)10-6-7-11-16/h4-5,8-9,17H,6-7,10-13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine?
N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 78912363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).