2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine

C12H26N2 — CID 62424980

IUPAC2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine
SMILESCCCCN(CC)C(C)CNC1CC1
InChIInChI=1S/C12H26N2/c1-4-6-9-14(5-2)11(3)10-13-12-7-8-12/h11-13H,4-10H2,1-3H3
InChIKeyWKCFALMXONGKNS-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds8

About 2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine

2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine (PubChem CID 62424980) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine
PubChem CID62424980
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine
SMILESCCCCN(CC)C(C)CNC1CC1
InChIInChI=1S/C12H26N2/c1-4-6-9-14(5-2)11(3)10-13-12-7-8-12/h11-13H,4-10H2,1-3H3
InChIKeyWKCFALMXONGKNS-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N'-cyclopropyl-N-ethyl-1-phenylethane-1,2-diamine
CID 55069938
1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine
CID 79482589
1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine
CID 102997683
4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 64698955
1-N-cyclopentyl-2-N-[2-(dimethylamino)ethyl]-2-N-propylpropane-1,2-diamine
CID 55087417
1-N-cyclopentyl-2-N-(cyclopropylmethyl)-2-N-propylpropane-1,2-diamine
CID 55088001
1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine
CID 83054390
methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate
CID 64727139
2-N,2-N-diethyl-1-N-(oxan-3-yl)propane-1,2-diamine
CID 115708721
1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 79408928
1-N-cyclopropyl-2-N-heptylpropane-1,2-diamine
CID 114752713
N-(2-propan-2-yltetradecyl)cyclopropanamine
CID 63520975

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine?
The IUPAC name of 2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine (CID 62424980) is 2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine?
The canonical SMILES for 2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine is CCCCN(CC)C(C)CNC1CC1.
What is the InChIKey of 2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine?
The InChIKey is WKCFALMXONGKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-6-9-14(5-2)11(3)10-13-12-7-8-12/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine?
2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine is sourced from PubChem (CID 62424980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).