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

C15H31N3 — CID 66634425

IUPACcis-(1R,3S)-N-ethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
SMILESCCN[C@@H]1CCC[C@H](N2CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H31N3/c1-4-16-14-6-5-7-15(12-14)18-10-8-17(9-11-18)13(2)3/h13-16H,4-12H2,1-3H3/t14-,15+/m1/s1
InChIKeyHPJNPDYUJPXIRW-CABCVRRESA-N
MW253.43 g/mol
LogP1.93
Rot. Bonds4

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

cis-(1R,3S)-N-ethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine (PubChem CID 66634425) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is cis-(1R,3S)-N-ethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-N-ethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
PubChem CID66634425
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Namecis-(1R,3S)-N-ethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
SMILESCCN[C@@H]1CCC[C@H](N2CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H31N3/c1-4-16-14-6-5-7-15(12-14)18-10-8-17(9-11-18)13(2)3/h13-16H,4-12H2,1-3H3/t14-,15+/m1/s1
InChIKeyHPJNPDYUJPXIRW-CABCVRRESA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
CID 79618505
N-ethyl-3-(4-ethylpiperidin-1-yl)cyclohexan-1-amine
CID 79630874
N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 79618174
N-ethyl-3-piperidin-1-ylcyclopentan-1-amine
CID 79643289
trans-(1S,3S)-N-ethyl-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 66634462
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919
[3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine
CID 66608260
tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate
CID 58235997
cis-(1S,3R)-N,N-dimethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 66602973
tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate;tert-butyl N-[(3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate;methane
CID 159616114
N-ethyl-9-(1-pyrrolidin-1-ylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713666
N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine
CID 79618408

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-ethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,3S)-N-ethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine (CID 66634425) is cis-(1R,3S)-N-ethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3S)-N-ethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,3S)-N-ethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine is CCN[C@@H]1CCC[C@H](N2CCN(C(C)C)CC2)C1.
What is the InChIKey of cis-(1R,3S)-N-ethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine?
The InChIKey is HPJNPDYUJPXIRW-CABCVRRESA-N. The full InChI is InChI=1S/C15H31N3/c1-4-16-14-6-5-7-15(12-14)18-10-8-17(9-11-18)13(2)3/h13-16H,4-12H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of cis-(1R,3S)-N-ethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine?
cis-(1R,3S)-N-ethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-ethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 66634425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).