3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentan-1-amine

C14H29N3 — CID 80706409

IUPAC3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentan-1-amine
SMILESCN1CCN(CCNC2CCC(C)(C)C2)CC1
InChIInChI=1S/C14H29N3/c1-14(2)5-4-13(12-14)15-6-7-17-10-8-16(3)9-11-17/h13,15H,4-12H2,1-3H3
InChIKeyRSRZZHXNHGAGKL-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds4

About 3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentan-1-amine

3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentan-1-amine (PubChem CID 80706409) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentan-1-amine
PubChem CID80706409
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentan-1-amine
SMILESCN1CCN(CCNC2CCC(C)(C)C2)CC1
InChIInChI=1S/C14H29N3/c1-14(2)5-4-13(12-14)15-6-7-17-10-8-16(3)9-11-17/h13,15H,4-12H2,1-3H3
InChIKeyRSRZZHXNHGAGKL-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentan-1-amine (CID 80706409) is 3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentan-1-amine is CN1CCN(CCNC2CCC(C)(C)C2)CC1.
What is the InChIKey of 3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentan-1-amine?
The InChIKey is RSRZZHXNHGAGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-14(2)5-4-13(12-14)15-6-7-17-10-8-16(3)9-11-17/h13,15H,4-12H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentan-1-amine?
3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 80706409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).