1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine

C16H26N2 — CID 62010146

IUPAC1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
SMILESCCN(Cc1cccc(C)c1)C1(CN)CCCC1
InChIInChI=1S/C16H26N2/c1-3-18(16(13-17)9-4-5-10-16)12-15-8-6-7-14(2)11-15/h6-8,11H,3-5,9-10,12-13,17H2,1-2H3
InChIKeyIFKBIIQTLMOFJY-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.09
Rot. Bonds5

About 1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine

1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine (PubChem CID 62010146) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
PubChem CID62010146
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
SMILESCCN(Cc1cccc(C)c1)C1(CN)CCCC1
InChIInChI=1S/C16H26N2/c1-3-18(16(13-17)9-4-5-10-16)12-15-8-6-7-14(2)11-15/h6-8,11H,3-5,9-10,12-13,17H2,1-2H3
InChIKeyIFKBIIQTLMOFJY-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine
CID 63480828
1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine
CID 65088362
4-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]oxepan-4-amine
CID 65079215
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115448036
4-(aminomethyl)-N,1-dimethyl-N-[(3-methylphenyl)methyl]azepan-4-amine
CID 65075352
1-(aminomethyl)-N,4-dimethyl-N-[(3-methylphenyl)methyl]cycloheptan-1-amine
CID 65084665
1-(aminomethyl)-N-benzyl-N-propylcycloheptan-1-amine
CID 63480657
1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 63487026
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine
CID 61423746
1-(aminomethyl)-N-ethyl-N-(3-phenylpropyl)cyclopentan-1-amine
CID 62009540
1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 106872249
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448986

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine (CID 62010146) is 1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine is CCN(Cc1cccc(C)c1)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is IFKBIIQTLMOFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-18(16(13-17)9-4-5-10-16)12-15-8-6-7-14(2)11-15/h6-8,11H,3-5,9-10,12-13,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine?
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 62010146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).