2-N,3-dimethyl-1-N-[3-(methylamino)propyl]butane-1,2-diamine

C10H25N3 — CID 143685497

IUPAC2-N,3-dimethyl-1-N-[3-(methylamino)propyl]butane-1,2-diamine
SMILESCNCCCNCC(NC)C(C)C
InChIInChI=1S/C10H25N3/c1-9(2)10(12-4)8-13-7-5-6-11-3/h9-13H,5-8H2,1-4H3
InChIKeyGEHVQXYVBLAGJC-UHFFFAOYSA-N
MW187.33 g/mol
LogP0.43
Rot. Bonds8

About 2-N,3-dimethyl-1-N-[3-(methylamino)propyl]butane-1,2-diamine

2-N,3-dimethyl-1-N-[3-(methylamino)propyl]butane-1,2-diamine (PubChem CID 143685497) has the molecular formula C10H25N3 and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-N,3-dimethyl-1-N-[3-(methylamino)propyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-1-N-[3-(methylamino)propyl]butane-1,2-diamine
PubChem CID143685497
Molecular FormulaC10H25N3
Molecular Weight187.33 g/mol
Exact Mass187.20
IUPAC Name2-N,3-dimethyl-1-N-[3-(methylamino)propyl]butane-1,2-diamine
SMILESCNCCCNCC(NC)C(C)C
InChIInChI=1S/C10H25N3/c1-9(2)10(12-4)8-13-7-5-6-11-3/h9-13H,5-8H2,1-4H3
InChIKeyGEHVQXYVBLAGJC-UHFFFAOYSA-N
XLogP0.43
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
N-[3-methyl-2-(methylamino)butyl]formamide
CID 170705034
N-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine
CID 149204249
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine
CID 20647748
2-N-[5-[2,2-bis(methylamino)ethylamino]pentyl]-1-N,1-N'-dimethylethane-1,1,2-triamine
CID 101009678
N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine
CID 135177358
(2R)-1-[2-(methylamino)ethylamino]propan-2-ol
CID 143132001
N'-hexadecyl-N-methylpropane-1,3-diamine
CID 46736042
N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55209612
N,N',2-trimethylpentane-1,5-diamine
CID 18952778
N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine
CID 19698839

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-1-N-[3-(methylamino)propyl]butane-1,2-diamine?
The IUPAC name of 2-N,3-dimethyl-1-N-[3-(methylamino)propyl]butane-1,2-diamine (CID 143685497) is 2-N,3-dimethyl-1-N-[3-(methylamino)propyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,3-dimethyl-1-N-[3-(methylamino)propyl]butane-1,2-diamine?
The canonical SMILES for 2-N,3-dimethyl-1-N-[3-(methylamino)propyl]butane-1,2-diamine is CNCCCNCC(NC)C(C)C.
What is the InChIKey of 2-N,3-dimethyl-1-N-[3-(methylamino)propyl]butane-1,2-diamine?
The InChIKey is GEHVQXYVBLAGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3/c1-9(2)10(12-4)8-13-7-5-6-11-3/h9-13H,5-8H2,1-4H3.
What are the key properties of 2-N,3-dimethyl-1-N-[3-(methylamino)propyl]butane-1,2-diamine?
2-N,3-dimethyl-1-N-[3-(methylamino)propyl]butane-1,2-diamine has a molecular weight of 187.33 g/mol, XLogP of 0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-1-N-[3-(methylamino)propyl]butane-1,2-diamine is sourced from PubChem (CID 143685497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).