cis-(1S,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine

C13H27N3 — CID 66628900

IUPACcis-(1S,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine
SMILESCCN(C)[C@H]1CC[C@@H](N2CCN(C)CC2)C1
InChIInChI=1S/C13H27N3/c1-4-15(3)12-5-6-13(11-12)16-9-7-14(2)8-10-16/h12-13H,4-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyDRTYXFRLRWVMJZ-QWHCGFSZSA-N
MW225.38 g/mol
LogP1.11
Rot. Bonds3

About cis-(1S,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine

cis-(1S,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine (PubChem CID 66628900) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is cis-(1S,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine
PubChem CID66628900
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Namecis-(1S,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine
SMILESCCN(C)[C@H]1CC[C@@H](N2CCN(C)CC2)C1
InChIInChI=1S/C13H27N3/c1-4-15(3)12-5-6-13(11-12)16-9-7-14(2)8-10-16/h12-13H,4-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyDRTYXFRLRWVMJZ-QWHCGFSZSA-N
XLogP1.11
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine (CID 66628900) is cis-(1S,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine is CCN(C)[C@H]1CC[C@@H](N2CCN(C)CC2)C1.
What is the InChIKey of cis-(1S,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine?
The InChIKey is DRTYXFRLRWVMJZ-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H27N3/c1-4-15(3)12-5-6-13(11-12)16-9-7-14(2)8-10-16/h12-13H,4-11H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of cis-(1S,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine?
cis-(1S,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-ethyl-N-methyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine is sourced from PubChem (CID 66628900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).