2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine

C18H37N3 — CID 79835826

IUPAC2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1C(N2CCN(C(C)C)CC2)CCCC1(C)C
InChIInChI=1S/C18H37N3/c1-6-10-19-17-16(8-7-9-18(17,4)5)21-13-11-20(12-14-21)15(2)3/h15-17,19H,6-14H2,1-5H3
InChIKeyHJNGCWFSSNLDNF-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.96
Rot. Bonds5

About 2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine

2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine (PubChem CID 79835826) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine
PubChem CID79835826
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1C(N2CCN(C(C)C)CC2)CCCC1(C)C
InChIInChI=1S/C18H37N3/c1-6-10-19-17-16(8-7-9-18(17,4)5)21-13-11-20(12-14-21)15(2)3/h15-17,19H,6-14H2,1-5H3
InChIKeyHJNGCWFSSNLDNF-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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine (CID 79835826) is 2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine is CCCNC1C(N2CCN(C(C)C)CC2)CCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine?
The InChIKey is HJNGCWFSSNLDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-6-10-19-17-16(8-7-9-18(17,4)5)21-13-11-20(12-14-21)15(2)3/h15-17,19H,6-14H2,1-5H3.
What are the key properties of 2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine?
2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-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 2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79835826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).