1-N-cyclohexyl-1-N-ethyl-3-methoxy-3-methylbutane-1,2-diamine

C14H30N2O — CID 114228399

IUPAC1-N-cyclohexyl-1-N-ethyl-3-methoxy-3-methylbutane-1,2-diamine
SMILESCCN(CC(N)C(C)(C)OC)C1CCCCC1
InChIInChI=1S/C14H30N2O/c1-5-16(12-9-7-6-8-10-12)11-13(15)14(2,3)17-4/h12-13H,5-11,15H2,1-4H3
InChIKeyHXLZNLVCQZGFKS-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.39
Rot. Bonds6

About 1-N-cyclohexyl-1-N-ethyl-3-methoxy-3-methylbutane-1,2-diamine

1-N-cyclohexyl-1-N-ethyl-3-methoxy-3-methylbutane-1,2-diamine (PubChem CID 114228399) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-N-cyclohexyl-1-N-ethyl-3-methoxy-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-1-N-ethyl-3-methoxy-3-methylbutane-1,2-diamine
PubChem CID114228399
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-N-cyclohexyl-1-N-ethyl-3-methoxy-3-methylbutane-1,2-diamine
SMILESCCN(CC(N)C(C)(C)OC)C1CCCCC1
InChIInChI=1S/C14H30N2O/c1-5-16(12-9-7-6-8-10-12)11-13(15)14(2,3)17-4/h12-13H,5-11,15H2,1-4H3
InChIKeyHXLZNLVCQZGFKS-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine
CID 43649724
1-cyclohexyl-N'-cyclopentyl-N'-ethylethane-1,2-diamine
CID 104744777
N',1-dicyclopentyl-N'-ethylethane-1,2-diamine
CID 104744779
1-cyclohexyl-3-methoxy-3-methylbutan-2-amine
CID 103717838
N,N-diethylcycloundecanamine
CID 163828609
1-N-cyclopentyl-1-N-ethyl-4-methylpentane-1,2-diamine
CID 43541297
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
1-[cyclopentyl(ethyl)amino]butan-2-ol
CID 60886562
N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine
CID 65228278
N'-cyclohexyl-1-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine
CID 63912104
1-N-cyclopropyl-1-N-ethylbutane-1,2-diamine
CID 43649749

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-1-N-ethyl-3-methoxy-3-methylbutane-1,2-diamine?
The IUPAC name of 1-N-cyclohexyl-1-N-ethyl-3-methoxy-3-methylbutane-1,2-diamine (CID 114228399) is 1-N-cyclohexyl-1-N-ethyl-3-methoxy-3-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-cyclohexyl-1-N-ethyl-3-methoxy-3-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-cyclohexyl-1-N-ethyl-3-methoxy-3-methylbutane-1,2-diamine is CCN(CC(N)C(C)(C)OC)C1CCCCC1.
What is the InChIKey of 1-N-cyclohexyl-1-N-ethyl-3-methoxy-3-methylbutane-1,2-diamine?
The InChIKey is HXLZNLVCQZGFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-16(12-9-7-6-8-10-12)11-13(15)14(2,3)17-4/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 1-N-cyclohexyl-1-N-ethyl-3-methoxy-3-methylbutane-1,2-diamine?
1-N-cyclohexyl-1-N-ethyl-3-methoxy-3-methylbutane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-1-N-ethyl-3-methoxy-3-methylbutane-1,2-diamine is sourced from PubChem (CID 114228399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).