1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine

C9H20N2 — CID 43649749

IUPAC1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine
SMILESCCC(N)CN(CC)C1CC1
InChIInChI=1S/C9H20N2/c1-3-8(10)7-11(4-2)9-5-6-9/h8-9H,3-7,10H2,1-2H3
InChIKeyMCOKAJUAFFQIDH-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.21
Rot. Bonds5

About 1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine

1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine (PubChem CID 43649749) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine
PubChem CID43649749
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine
SMILESCCC(N)CN(CC)C1CC1
InChIInChI=1S/C9H20N2/c1-3-8(10)7-11(4-2)9-5-6-9/h8-9H,3-7,10H2,1-2H3
InChIKeyMCOKAJUAFFQIDH-UHFFFAOYSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine
CID 43649724
1-N-cyclopropyl-1-N-ethylpentane-1,2-diamine
CID 43650458
1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78974367
1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine
CID 43541297
1-[cyclopentyl(ethyl)amino]butan-2-ol
CID 60886562
N',1-dicyclopentyl-N'-ethylethane-1,2-diamine
CID 104744779
1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 61435222
1-cyclohexyl-N'-cyclopentyl-N'-ethylethane-1,2-diamine
CID 104744777
1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 78974349
N',1-dicyclopropyl-N'-ethyl-N-methylethane-1,2-diamine
CID 63913422
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661
N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43264141

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine (CID 43649749) is 1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine is CCC(N)CN(CC)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine?
The InChIKey is MCOKAJUAFFQIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-8(10)7-11(4-2)9-5-6-9/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine?
1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine is sourced from PubChem (CID 43649749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).