1-(aminomethyl)-N,2,2-trimethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine

C17H28N2 — CID 79857339

IUPAC1-(aminomethyl)-N,2,2-trimethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
SMILESCc1cccc(CN(C)C2(CN)CCCC2(C)C)c1
InChIInChI=1S/C17H28N2/c1-14-7-5-8-15(11-14)12-19(4)17(13-18)10-6-9-16(17,2)3/h5,7-8,11H,6,9-10,12-13,18H2,1-4H3
InChIKeyNMKQEPWRNDYSQX-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.33
Rot. Bonds4

About 1-(aminomethyl)-N,2,2-trimethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine

1-(aminomethyl)-N,2,2-trimethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine (PubChem CID 79857339) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N,2,2-trimethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,2,2-trimethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
PubChem CID79857339
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(aminomethyl)-N,2,2-trimethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
SMILESCc1cccc(CN(C)C2(CN)CCCC2(C)C)c1
InChIInChI=1S/C17H28N2/c1-14-7-5-8-15(11-14)12-19(4)17(13-18)10-6-9-16(17,2)3/h5,7-8,11H,6,9-10,12-13,18H2,1-4H3
InChIKeyNMKQEPWRNDYSQX-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,2,2-trimethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,2,2-trimethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine (CID 79857339) is 1-(aminomethyl)-N,2,2-trimethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,2,2-trimethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,2,2-trimethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine is Cc1cccc(CN(C)C2(CN)CCCC2(C)C)c1.
What is the InChIKey of 1-(aminomethyl)-N,2,2-trimethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is NMKQEPWRNDYSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-7-5-8-15(11-14)12-19(4)17(13-18)10-6-9-16(17,2)3/h5,7-8,11H,6,9-10,12-13,18H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N,2,2-trimethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine?
1-(aminomethyl)-N,2,2-trimethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,2,2-trimethyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79857339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).