N-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine

C16H33N3 — CID 114537740

IUPACN-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine
SMILESCCCNC1CCCCC1N1CC(C)N(C)C(C)C1
InChIInChI=1S/C16H33N3/c1-5-10-17-15-8-6-7-9-16(15)19-11-13(2)18(4)14(3)12-19/h13-17H,5-12H2,1-4H3
InChIKeyPDFXMNVILQZEOR-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.32
Rot. Bonds4

About N-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine

N-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine (PubChem CID 114537740) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine
PubChem CID114537740
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine
SMILESCCCNC1CCCCC1N1CC(C)N(C)C(C)C1
InChIInChI=1S/C16H33N3/c1-5-10-17-15-8-6-7-9-16(15)19-11-13(2)18(4)14(3)12-19/h13-17H,5-12H2,1-4H3
InChIKeyPDFXMNVILQZEOR-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine
CID 79187934
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcycloheptan-1-amine
CID 79188611
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine
CID 79188224
N,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine
CID 81465092
2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 103494992
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentan-1-amine
CID 66394027
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine
CID 79174695
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylcyclohexan-1-amine
CID 79938748
2-(3-methoxy-4-methylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 102965411
2-[3-(methoxymethyl)piperidin-1-yl]-N-propylcyclooctan-1-amine
CID 106586680
2-[4-(methoxymethyl)piperidin-1-yl]-N-propylcycloheptan-1-amine
CID 63972305
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propylcyclohexan-1-amine
CID 64576853

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine?
The IUPAC name of N-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine (CID 114537740) is N-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine?
The canonical SMILES for N-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine is CCCNC1CCCCC1N1CC(C)N(C)C(C)C1.
What is the InChIKey of N-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine?
The InChIKey is PDFXMNVILQZEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-10-17-15-8-6-7-9-16(15)19-11-13(2)18(4)14(3)12-19/h13-17H,5-12H2,1-4H3.
What are the key properties of N-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine?
N-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 114537740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).