N-[(3,5-dimethylcyclohexyl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine

C18H37N3 — CID 79664405

IUPACN-[(3,5-dimethylcyclohexyl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CC(C)CC(C)C1)C1CN(C)CCN1C
InChIInChI=1S/C18H37N3/c1-6-7-19-18(16-11-14(2)10-15(3)12-16)17-13-20(4)8-9-21(17)5/h14-19H,6-13H2,1-5H3
InChIKeyNOILDHRSKKXOGX-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.67
Rot. Bonds5

About N-[(3,5-dimethylcyclohexyl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine

N-[(3,5-dimethylcyclohexyl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine (PubChem CID 79664405) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohexyl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohexyl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
PubChem CID79664405
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC NameN-[(3,5-dimethylcyclohexyl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CC(C)CC(C)C1)C1CN(C)CCN1C
InChIInChI=1S/C18H37N3/c1-6-7-19-18(16-11-14(2)10-15(3)12-16)17-13-20(4)8-9-21(17)5/h14-19H,6-13H2,1-5H3
InChIKeyNOILDHRSKKXOGX-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dimethylcyclohexyl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
CID 79659614
1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine
CID 79659112
N-[(3,5-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64729509
[(1,4-dimethylpiperazin-2-yl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105247326
1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine
CID 79664602
N-[(3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methyl]propan-1-amine
CID 107189191
1-(3-methylcyclobutyl)-N-propylbutan-1-amine
CID 103565371
N-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 79658946
N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445322
N-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 79666373
1-(3,5-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 115415017
N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
CID 114657765

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohexyl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethylcyclohexyl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine (CID 79664405) is N-[(3,5-dimethylcyclohexyl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohexyl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohexyl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine is CCCNC(C1CC(C)CC(C)C1)C1CN(C)CCN1C.
What is the InChIKey of N-[(3,5-dimethylcyclohexyl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine?
The InChIKey is NOILDHRSKKXOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-6-7-19-18(16-11-14(2)10-15(3)12-16)17-13-20(4)8-9-21(17)5/h14-19H,6-13H2,1-5H3.
What are the key properties of N-[(3,5-dimethylcyclohexyl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine?
N-[(3,5-dimethylcyclohexyl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohexyl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 79664405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).