2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine

C18H37N3 — CID 79835810

IUPAC2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine
SMILESCCCNC1C(N2CCN(CCC)CC2)CCCC1(C)C
InChIInChI=1S/C18H37N3/c1-5-10-19-17-16(8-7-9-18(17,3)4)21-14-12-20(11-6-2)13-15-21/h16-17,19H,5-15H2,1-4H3
InChIKeyBKJJUSQIOWYYGO-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.96
Rot. Bonds6

About 2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine

2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine (PubChem CID 79835810) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine
PubChem CID79835810
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine
SMILESCCCNC1C(N2CCN(CCC)CC2)CCCC1(C)C
InChIInChI=1S/C18H37N3/c1-5-10-19-17-16(8-7-9-18(17,3)4)21-14-12-20(11-6-2)13-15-21/h16-17,19H,5-15H2,1-4H3
InChIKeyBKJJUSQIOWYYGO-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine
CID 79835826
1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine
CID 79835828
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79927085
5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79865020
2,2-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]-N-propylcyclopentan-1-amine
CID 79865531
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 104958323
6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79842409
2,2-dimethyl-N-propyl-6-(2-propylpiperidin-1-yl)cyclohexan-1-amine
CID 83053137
5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79860162
2,2-dimethyl-6-(3-methylmorpholin-4-yl)-N-propylcyclohexan-1-amine
CID 79829478
N-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine
CID 79828790
2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine
CID 79865651

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine (CID 79835810) is 2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine is CCCNC1C(N2CCN(CCC)CC2)CCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine?
The InChIKey is BKJJUSQIOWYYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-5-10-19-17-16(8-7-9-18(17,3)4)21-14-12-20(11-6-2)13-15-21/h16-17,19H,5-15H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine?
2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 79835810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).