1-N,2-N,2-N-triethylpentane-1,2-diamine

C11H26N2 — CID 83043312

IUPAC1-N,2-N,2-N-triethylpentane-1,2-diamine
SMILESCCCC(CNCC)N(CC)CC
InChIInChI=1S/C11H26N2/c1-5-9-11(10-12-6-2)13(7-3)8-4/h11-12H,5-10H2,1-4H3
InChIKeyCBRVRGMYFPXWFY-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.11
Rot. Bonds8

About 1-N,2-N,2-N-triethylpentane-1,2-diamine

1-N,2-N,2-N-triethylpentane-1,2-diamine (PubChem CID 83043312) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-N,2-N,2-N-triethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-N-triethylpentane-1,2-diamine
PubChem CID83043312
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name1-N,2-N,2-N-triethylpentane-1,2-diamine
SMILESCCCC(CNCC)N(CC)CC
InChIInChI=1S/C11H26N2/c1-5-9-11(10-12-6-2)13(7-3)8-4/h11-12H,5-10H2,1-4H3
InChIKeyCBRVRGMYFPXWFY-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N,2-N,2-N-triethylpentane-1,2-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

2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine
CID 83043720
1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 83054107
2-N,2-N-bis(2-ethoxyethyl)-1-N-ethylpentane-1,2-diamine
CID 83046420
2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine
CID 83054723
1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine
CID 162382785
(2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine
CID 97170093
1-N,2-N,2-N-triethylpropane-1,2-diamine
CID 18364429
1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine
CID 83054722
1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine
CID 62432362
N,N'-diethyl-N'-pentan-2-ylmethanediamine
CID 156888223
1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine
CID 112665676
N,N-diethyltridecan-4-amine
CID 159822270

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-N-triethylpentane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-N-triethylpentane-1,2-diamine (CID 83043312) is 1-N,2-N,2-N-triethylpentane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-N-triethylpentane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-N-triethylpentane-1,2-diamine is CCCC(CNCC)N(CC)CC.
What is the InChIKey of 1-N,2-N,2-N-triethylpentane-1,2-diamine?
The InChIKey is CBRVRGMYFPXWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-5-9-11(10-12-6-2)13(7-3)8-4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-N,2-N,2-N-triethylpentane-1,2-diamine?
1-N,2-N,2-N-triethylpentane-1,2-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-N-triethylpentane-1,2-diamine is sourced from PubChem (CID 83043312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).