N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine

C15H31N3 — CID 80705339

IUPACN-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)C2(CN)CCC(C)(C)C2)C1
InChIInChI=1S/C15H31N3/c1-14(2)7-8-15(11-14,12-16)18(4)13-6-5-9-17(3)10-13/h13H,5-12,16H2,1-4H3
InChIKeySWCAEKVSKWALQX-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds3

About N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine

N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 80705339) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine
PubChem CID80705339
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)C2(CN)CCC(C)(C)C2)C1
InChIInChI=1S/C15H31N3/c1-14(2)7-8-15(11-14,12-16)18(4)13-6-5-9-17(3)10-13/h13H,5-12,16H2,1-4H3
InChIKeySWCAEKVSKWALQX-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine (CID 80705339) is N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)C2(CN)CCC(C)(C)C2)C1.
What is the InChIKey of N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is SWCAEKVSKWALQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-14(2)7-8-15(11-14,12-16)18(4)13-6-5-9-17(3)10-13/h13H,5-12,16H2,1-4H3.
What are the key properties of N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine?
N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 80705339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).