2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine

C18H37N3 — CID 62702986

IUPAC2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1N1CCN(CC)CC1
InChIInChI=1S/C18H37N3/c1-5-9-19-17-8-7-16(15(3)4)14-18(17)21-12-10-20(6-2)11-13-21/h15-19H,5-14H2,1-4H3
InChIKeyJTFCZJPHHWWABV-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.82
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine

2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine (PubChem CID 62702986) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
PubChem CID62702986
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1N1CCN(CC)CC1
InChIInChI=1S/C18H37N3/c1-5-9-19-17-8-7-16(15(3)4)14-18(17)21-12-10-20(6-2)11-13-21/h15-19H,5-14H2,1-4H3
InChIKeyJTFCZJPHHWWABV-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62703151
N-methyl-4-propan-2-yl-2-(4-propylpiperazin-1-yl)cyclohexan-1-amine
CID 62703140
2-(2,4-dimethylpiperidin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63468038
2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 103494992
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62703896
2-N-(1-cyclopropylethyl)-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63470088
4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64634442
2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 64652319
2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401154
2-[(2-methylpyrrolidin-1-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63483028
3-(4-ethylpiperazin-1-yl)-N-propylcyclopentan-1-amine
CID 79642695
2-(2-methylpentoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 103283261

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine (CID 62702986) is 2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)C)CC1N1CCN(CC)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The InChIKey is JTFCZJPHHWWABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-5-9-19-17-8-7-16(15(3)4)14-18(17)21-12-10-20(6-2)11-13-21/h15-19H,5-14H2,1-4H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62702986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).