N,N-dimethyl-1-[2-[2-(propylamino)cyclopentyl]ethyl]piperidin-4-amine

C17H35N3 — CID 79569939

IUPACN,N-dimethyl-1-[2-[2-(propylamino)cyclopentyl]ethyl]piperidin-4-amine
SMILESCCCNC1CCCC1CCN1CCC(N(C)C)CC1
InChIInChI=1S/C17H35N3/c1-4-11-18-17-7-5-6-15(17)8-12-20-13-9-16(10-14-20)19(2)3/h15-18H,4-14H2,1-3H3
InChIKeyXJCVVISSCUMJIL-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds7

About N,N-dimethyl-1-[2-[2-(propylamino)cyclopentyl]ethyl]piperidin-4-amine

N,N-dimethyl-1-[2-[2-(propylamino)cyclopentyl]ethyl]piperidin-4-amine (PubChem CID 79569939) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[2-(propylamino)cyclopentyl]ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[2-(propylamino)cyclopentyl]ethyl]piperidin-4-amine
PubChem CID79569939
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN,N-dimethyl-1-[2-[2-(propylamino)cyclopentyl]ethyl]piperidin-4-amine
SMILESCCCNC1CCCC1CCN1CCC(N(C)C)CC1
InChIInChI=1S/C17H35N3/c1-4-11-18-17-7-5-6-15(17)8-12-20-13-9-16(10-14-20)19(2)3/h15-18H,4-14H2,1-3H3
InChIKeyXJCVVISSCUMJIL-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[2-(propylamino)cyclopentyl]ethyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[2-[2-(propylamino)cyclopentyl]ethyl]piperidin-4-amine (CID 79569939) is N,N-dimethyl-1-[2-[2-(propylamino)cyclopentyl]ethyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-[2-(propylamino)cyclopentyl]ethyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[2-[2-(propylamino)cyclopentyl]ethyl]piperidin-4-amine is CCCNC1CCCC1CCN1CCC(N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-[2-[2-(propylamino)cyclopentyl]ethyl]piperidin-4-amine?
The InChIKey is XJCVVISSCUMJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-11-18-17-7-5-6-15(17)8-12-20-13-9-16(10-14-20)19(2)3/h15-18H,4-14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[2-[2-(propylamino)cyclopentyl]ethyl]piperidin-4-amine?
N,N-dimethyl-1-[2-[2-(propylamino)cyclopentyl]ethyl]piperidin-4-amine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[2-(propylamino)cyclopentyl]ethyl]piperidin-4-amine is sourced from PubChem (CID 79569939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).