trans-(1R,3R)-N,N-dimethyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine

C12H25N3 — CID 66635602

IUPACtrans-(1R,3R)-N,N-dimethyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine
SMILESCN1CCN([C@@H]2CC[C@@H](N(C)C)C2)CC1
InChIInChI=1S/C12H25N3/c1-13(2)11-4-5-12(10-11)15-8-6-14(3)7-9-15/h11-12H,4-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyJSLXHYZGWTZBPI-VXGBXAGGSA-N
MW211.35 g/mol
LogP0.72
Rot. Bonds2

About trans-(1R,3R)-N,N-dimethyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine

trans-(1R,3R)-N,N-dimethyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine (PubChem CID 66635602) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is trans-(1R,3R)-N,N-dimethyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-N,N-dimethyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine
PubChem CID66635602
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Nametrans-(1R,3R)-N,N-dimethyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine
SMILESCN1CCN([C@@H]2CC[C@@H](N(C)C)C2)CC1
InChIInChI=1S/C12H25N3/c1-13(2)11-4-5-12(10-11)15-8-6-14(3)7-9-15/h11-12H,4-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyJSLXHYZGWTZBPI-VXGBXAGGSA-N
XLogP0.72
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N,N-dimethyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine?
The IUPAC name of trans-(1R,3R)-N,N-dimethyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine (CID 66635602) is trans-(1R,3R)-N,N-dimethyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine.
What is the SMILES notation for trans-(1R,3R)-N,N-dimethyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine?
The canonical SMILES for trans-(1R,3R)-N,N-dimethyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine is CN1CCN([C@@H]2CC[C@@H](N(C)C)C2)CC1.
What is the InChIKey of trans-(1R,3R)-N,N-dimethyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine?
The InChIKey is JSLXHYZGWTZBPI-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H25N3/c1-13(2)11-4-5-12(10-11)15-8-6-14(3)7-9-15/h11-12H,4-10H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of trans-(1R,3R)-N,N-dimethyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine?
trans-(1R,3R)-N,N-dimethyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N,N-dimethyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine is sourced from PubChem (CID 66635602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).