1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine

C18H37N3 — CID 79835828

IUPAC1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine
SMILESCCCNC1C(N2CCC(N(C)C)CC2)CCCC1(C)C
InChIInChI=1S/C18H37N3/c1-6-12-19-17-16(8-7-11-18(17,2)3)21-13-9-15(10-14-21)20(4)5/h15-17,19H,6-14H2,1-5H3
InChIKeyAIQZDMQCQMIVEO-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.96
Rot. Bonds5

About 1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine

1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 79835828) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine
PubChem CID79835828
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine
SMILESCCCNC1C(N2CCC(N(C)C)CC2)CCCC1(C)C
InChIInChI=1S/C18H37N3/c1-6-12-19-17-16(8-7-11-18(17,2)3)21-13-9-15(10-14-21)20(4)5/h15-17,19H,6-14H2,1-5H3
InChIKeyAIQZDMQCQMIVEO-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-N-propyl-6-(4-propylpiperazin-1-yl)cyclohexan-1-amine
CID 79835810
2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine
CID 79835826
5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79865020
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
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 104958323
1-N,3,3-trimethyl-1-N-(1-methylpiperidin-4-yl)-2-N-propylcyclohexane-1,2-diamine
CID 79835811
5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79860162
N-ethyl-2,2-dimethyl-6-(4-methylazepan-1-yl)cyclohexan-1-amine
CID 79828790
2,2-dimethyl-N-propyl-6-(2-propylpiperidin-1-yl)cyclohexan-1-amine
CID 83053137
N,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine
CID 79828781
2,2-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]-N-propylcyclopentan-1-amine
CID 79865531
2,2-dimethyl-6-(3-methylmorpholin-4-yl)-N-propylcyclohexan-1-amine
CID 79829478

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine (CID 79835828) is 1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine is CCCNC1C(N2CCC(N(C)C)CC2)CCCC1(C)C.
What is the InChIKey of 1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is AIQZDMQCQMIVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-6-12-19-17-16(8-7-11-18(17,2)3)21-13-9-15(10-14-21)20(4)5/h15-17,19H,6-14H2,1-5H3.
What are the key properties of 1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine?
1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 295.51 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethyl-2-(propylamino)cyclohexyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 79835828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).