2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine

C12H28N2 — CID 62040977

IUPAC2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine
SMILESCCCCCN(C)CC(CC)NCC
InChIInChI=1S/C12H28N2/c1-5-8-9-10-14(4)11-12(6-2)13-7-3/h12-13H,5-11H2,1-4H3
InChIKeyIIPCHYGCLUBOPN-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.50
Rot. Bonds9

About 2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine

2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine (PubChem CID 62040977) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine
PubChem CID62040977
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine
SMILESCCCCCN(C)CC(CC)NCC
InChIInChI=1S/C12H28N2/c1-5-8-9-10-14(4)11-12(6-2)13-7-3/h12-13H,5-11H2,1-4H3
InChIKeyIIPCHYGCLUBOPN-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-ethyl-1-N-methyl-1-N-pentylbutane-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-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62040549
2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine
CID 107505693
2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine
CID 65487022
3-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64796603
1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine
CID 123552259
N-ethylnonan-3-amine
CID 60996683
2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile
CID 63028489
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799873
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine
CID 139634498
2-[icosyl(methyl)amino]ethane-1,1-diol
CID 141462336
N-ethyldecan-3-amine;dihydrochloride
CID 175708733

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine (CID 62040977) is 2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine is CCCCCN(C)CC(CC)NCC.
What is the InChIKey of 2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine?
The InChIKey is IIPCHYGCLUBOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-8-9-10-14(4)11-12(6-2)13-7-3/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine?
2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine is sourced from PubChem (CID 62040977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).