1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine

C12H26N2 — CID 43649724

IUPAC1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine
SMILESCCC(N)CN(CC)C1CCCCC1
InChIInChI=1S/C12H26N2/c1-3-11(13)10-14(4-2)12-8-6-5-7-9-12/h11-12H,3-10,13H2,1-2H3
InChIKeyKWQDGQOLEUAVRS-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.38
Rot. Bonds5

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

1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine (PubChem CID 43649724) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine
PubChem CID43649724
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine
SMILESCCC(N)CN(CC)C1CCCCC1
InChIInChI=1S/C12H26N2/c1-3-11(13)10-14(4-2)12-8-6-5-7-9-12/h11-12H,3-10,13H2,1-2H3
InChIKeyKWQDGQOLEUAVRS-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine
CID 43649749
1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine
CID 43541297
1-cyclohexyl-N'-cyclopentyl-N'-ethylethane-1,2-diamine
CID 104744777
N',1-dicyclopentyl-N'-ethylethane-1,2-diamine
CID 104744779
N,N-diethylcycloundecanamine
CID 163828609
1-[cyclopentyl(ethyl)amino]butan-2-ol
CID 60886562
1-N-cyclopropyl-1-N-ethylpentane-1,2-diamine
CID 43650458
1-N-cyclohexyl-1-N-ethyl-3-methoxy-3-methylbutane-1,2-diamine
CID 114228399
1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78974367
1-amino-3-[cyclopentyl(ethyl)amino]propan-2-ol
CID 43541005
N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43108213
N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine
CID 65228278

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine?
The IUPAC name of 1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine (CID 43649724) is 1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine?
The canonical SMILES for 1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine is CCC(N)CN(CC)C1CCCCC1.
What is the InChIKey of 1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine?
The InChIKey is KWQDGQOLEUAVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-11(13)10-14(4-2)12-8-6-5-7-9-12/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine?
1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine is sourced from PubChem (CID 43649724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).