1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine

C15H24N2 — CID 61411916

IUPAC1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
SMILESCc1cccc(CN(C)CC2(N)CCCC2)c1
InChIInChI=1S/C15H24N2/c1-13-6-5-7-14(10-13)11-17(2)12-15(16)8-3-4-9-15/h5-7,10H,3-4,8-9,11-12,16H2,1-2H3
InChIKeyCLHIMCQHSOJHCL-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.70
Rot. Bonds4

About 1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine

1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine (PubChem CID 61411916) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
PubChem CID61411916
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
SMILESCc1cccc(CN(C)CC2(N)CCCC2)c1
InChIInChI=1S/C15H24N2/c1-13-6-5-7-14(10-13)11-17(2)12-15(16)8-3-4-9-15/h5-7,10H,3-4,8-9,11-12,16H2,1-2H3
InChIKeyCLHIMCQHSOJHCL-UHFFFAOYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine
CID 64679512
1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine
CID 65457727
1-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclopropan-1-amine
CID 65460243
2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 79854781
N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine
CID 63143130
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
CID 64679525
2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383822
1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine
CID 64679518
1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine
CID 81170245
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 62010146

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine?
The IUPAC name of 1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine (CID 61411916) is 1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine is Cc1cccc(CN(C)CC2(N)CCCC2)c1.
What is the InChIKey of 1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine?
The InChIKey is CLHIMCQHSOJHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-6-5-7-14(10-13)11-17(2)12-15(16)8-3-4-9-15/h5-7,10H,3-4,8-9,11-12,16H2,1-2H3.
What are the key properties of 1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine?
1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 61411916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).