3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine

C8H21N3 — CID 173242515

IUPAC3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine
SMILESCCC(CCN)N(C)CCN
InChIInChI=1S/C8H21N3/c1-3-8(4-5-9)11(2)7-6-10/h8H,3-7,9-10H2,1-2H3
InChIKeySUHCWODFYYGOII-UHFFFAOYSA-N
MW159.28 g/mol
LogP0.00
Rot. Bonds6

About 3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine

3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine (PubChem CID 173242515) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is 3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine
PubChem CID173242515
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC Name3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine
SMILESCCC(CCN)N(C)CCN
InChIInChI=1S/C8H21N3/c1-3-8(4-5-9)11(2)7-6-10/h8H,3-7,9-10H2,1-2H3
InChIKeySUHCWODFYYGOII-UHFFFAOYSA-N
XLogP0.00
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N-(2-aminoethyl)-3-N-methylpentane-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

1,2-Ethanediamine, N1,N1-bis(1-methylethyl)-
CID 8459
Novoldiamine
CID 78953
2-Aminomethyl-1-ethylpyrrolidine
CID 117295
3-amino-N-ethylpiperidine
CID 98094
1-(Propan-2-yl)piperidin-4-amine
CID 3163333
N,N-Dibutylethylenediamine
CID 77062
(S)-(-)-2-Aminomethyl-1-ethylpyrrolidine
CID 643457
(2R)-1-Ethyl-2-pyrrolidinemethanamine
CID 854138
N',N'-di(propan-2-yl)pentane-1,5-diamine
CID 3790585
8-MeS8-methylspermidine
CID 53363065
N~1~,N~1~-Dimethylbutane-1,2-diamine
CID 44652
(S)-N-Ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 7141622

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine?
The IUPAC name of 3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine (CID 173242515) is 3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine.
What is the SMILES notation for 3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine?
The canonical SMILES for 3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine is CCC(CCN)N(C)CCN.
What is the InChIKey of 3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine?
The InChIKey is SUHCWODFYYGOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-3-8(4-5-9)11(2)7-6-10/h8H,3-7,9-10H2,1-2H3.
What are the key properties of 3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine?
3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine has a molecular weight of 159.28 g/mol, XLogP of 0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine is sourced from PubChem (CID 173242515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).