N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine

C16H36N4 — CID 102994465

IUPACN'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CCN1CCCNCC1
InChIInChI=1S/C16H36N4/c1-4-18(5-2)12-8-13-19(6-3)15-16-20-11-7-9-17-10-14-20/h17H,4-16H2,1-3H3
InChIKeyVRZJUTIBGYRUND-UHFFFAOYSA-N
MW284.49 g/mol
LogP1.34
Rot. Bonds10

About N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine

N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102994465) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102994465
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC NameN'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CCN1CCCNCC1
InChIInChI=1S/C16H36N4/c1-4-18(5-2)12-8-13-19(6-3)15-16-20-11-7-9-17-10-14-20/h17H,4-16H2,1-3H3
InChIKeyVRZJUTIBGYRUND-UHFFFAOYSA-N
XLogP1.34
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-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

3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine
CID 56965528
1-butyl-1,4-diazepane;ethane
CID 168976024
N,N-diethyl-2-piperidin-1-ylethanamine;ethane
CID 176694882
N'-(2-piperazin-1-ylethyl)-N,N'-di(tetradecyl)-N-tridecylethane-1,2-diamine
CID 171538757
2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887962
N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62831308
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
N-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine
CID 62832391
2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide
CID 54773681
N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylethanamine
CID 54983931
1-heptyl-1,4,8,11-tetrazacyclotetradecane
CID 101356970
N-ethyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 60849674

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine (CID 102994465) is N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)CCN1CCCNCC1.
What is the InChIKey of N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is VRZJUTIBGYRUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4/c1-4-18(5-2)12-8-13-19(6-3)15-16-20-11-7-9-17-10-14-20/h17H,4-16H2,1-3H3.
What are the key properties of N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 284.49 g/mol, XLogP of 1.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102994465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).