1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine

C15H33N3 — CID 62436193

IUPAC1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine
SMILESCCNCCCC(C)N(C)C1CCN(CC)CC1
InChIInChI=1S/C15H33N3/c1-5-16-11-7-8-14(3)17(4)15-9-12-18(6-2)13-10-15/h14-16H,5-13H2,1-4H3
InChIKeyKTLUUDUWRKZDEU-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds8

About 1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine

1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine (PubChem CID 62436193) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine
PubChem CID62436193
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine
SMILESCCNCCCC(C)N(C)C1CCN(CC)CC1
InChIInChI=1S/C15H33N3/c1-5-16-11-7-8-14(3)17(4)15-9-12-18(6-2)13-10-15/h14-16H,5-13H2,1-4H3
InChIKeyKTLUUDUWRKZDEU-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine 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

1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine
CID 62436358
1-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpentane-1,4-diamine
CID 62411796
2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 62436873
2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 55087320
1-[5-(ethylamino)pentyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166700
1-N-ethyl-2-N-(1-ethylpiperidin-4-yl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226137
3-[(1-ethylpiperidin-4-yl)-methylamino]butanehydrazide
CID 55213277
1-N-ethyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62423009
4-N-methyl-1-N-(2-methylpropyl)-4-N-(thiolan-3-yl)pentane-1,4-diamine
CID 62422983
1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]propan-2-ol
CID 55004070
N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine
CID 55072081
N,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine
CID 63167526

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine?
The IUPAC name of 1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine (CID 62436193) is 1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine?
The canonical SMILES for 1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine is CCNCCCC(C)N(C)C1CCN(CC)CC1.
What is the InChIKey of 1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine?
The InChIKey is KTLUUDUWRKZDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-5-16-11-7-8-14(3)17(4)15-9-12-18(6-2)13-10-15/h14-16H,5-13H2,1-4H3.
What are the key properties of 1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine?
1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine is sourced from PubChem (CID 62436193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).