N-methyl-1-(1-piperazin-1-ylethenyl)cyclohexan-1-amine

C13H25N3 — CID 70310485

IUPACN-methyl-1-(1-piperazin-1-ylethenyl)cyclohexan-1-amine
SMILESC=C(N1CCNCC1)C1(NC)CCCCC1
InChIInChI=1S/C13H25N3/c1-12(16-10-8-15-9-11-16)13(14-2)6-4-3-5-7-13/h14-15H,1,3-11H2,2H3
InChIKeyNSPVIQRPIPLUJB-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.33
Rot. Bonds3

About N-methyl-1-(1-piperazin-1-ylethenyl)cyclohexan-1-amine

N-methyl-1-(1-piperazin-1-ylethenyl)cyclohexan-1-amine (PubChem CID 70310485) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-methyl-1-(1-piperazin-1-ylethenyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1-piperazin-1-ylethenyl)cyclohexan-1-amine
PubChem CID70310485
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-methyl-1-(1-piperazin-1-ylethenyl)cyclohexan-1-amine
SMILESC=C(N1CCNCC1)C1(NC)CCCCC1
InChIInChI=1S/C13H25N3/c1-12(16-10-8-15-9-11-16)13(14-2)6-4-3-5-7-13/h14-15H,1,3-11H2,2H3
InChIKeyNSPVIQRPIPLUJB-UHFFFAOYSA-N
XLogP1.33
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-piperazin-1-ylethenyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-1-(1-piperazin-1-ylethenyl)cyclohexan-1-amine (CID 70310485) is N-methyl-1-(1-piperazin-1-ylethenyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-1-(1-piperazin-1-ylethenyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-1-(1-piperazin-1-ylethenyl)cyclohexan-1-amine is C=C(N1CCNCC1)C1(NC)CCCCC1.
What is the InChIKey of N-methyl-1-(1-piperazin-1-ylethenyl)cyclohexan-1-amine?
The InChIKey is NSPVIQRPIPLUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-12(16-10-8-15-9-11-16)13(14-2)6-4-3-5-7-13/h14-15H,1,3-11H2,2H3.
What are the key properties of N-methyl-1-(1-piperazin-1-ylethenyl)cyclohexan-1-amine?
N-methyl-1-(1-piperazin-1-ylethenyl)cyclohexan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-piperazin-1-ylethenyl)cyclohexan-1-amine is sourced from PubChem (CID 70310485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).