cis-(1S,3R)-N,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine

C15H31N3 — CID 66602973

IUPACcis-(1S,3R)-N,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
SMILESCC(C)N1CCN([C@@H]2CCC[C@H](N(C)C)C2)CC1
InChIInChI=1S/C15H31N3/c1-13(2)17-8-10-18(11-9-17)15-7-5-6-14(12-15)16(3)4/h13-15H,5-12H2,1-4H3/t14-,15+/m0/s1
InChIKeyZOAZUOLKMHNPPI-LSDHHAIUSA-N
MW253.43 g/mol
LogP1.89
Rot. Bonds3

About cis-(1S,3R)-N,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine

cis-(1S,3R)-N,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine (PubChem CID 66602973) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is cis-(1S,3R)-N,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-N,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
PubChem CID66602973
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Namecis-(1S,3R)-N,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
SMILESCC(C)N1CCN([C@@H]2CCC[C@H](N(C)C)C2)CC1
InChIInChI=1S/C15H31N3/c1-13(2)17-8-10-18(11-9-17)15-7-5-6-14(12-15)16(3)4/h13-15H,5-12H2,1-4H3/t14-,15+/m0/s1
InChIKeyZOAZUOLKMHNPPI-LSDHHAIUSA-N
XLogP1.89
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.89
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,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine?
The IUPAC name of cis-(1S,3R)-N,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine (CID 66602973) is cis-(1S,3R)-N,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,3R)-N,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine?
The canonical SMILES for cis-(1S,3R)-N,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine is CC(C)N1CCN([C@@H]2CCC[C@H](N(C)C)C2)CC1.
What is the InChIKey of cis-(1S,3R)-N,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine?
The InChIKey is ZOAZUOLKMHNPPI-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(2)17-8-10-18(11-9-17)15-7-5-6-14(12-15)16(3)4/h13-15H,5-12H2,1-4H3/t14-,15+/m0/s1.
What are the key properties of cis-(1S,3R)-N,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine?
cis-(1S,3R)-N,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.89, 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,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 66602973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).