2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine

C17H36N2 — CID 63469797

IUPAC2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine
SMILESCCCCN(C(C)CC)C1CC(C)CCC1NCC
InChIInChI=1S/C17H36N2/c1-6-9-12-19(15(5)7-2)17-13-14(4)10-11-16(17)18-8-3/h14-18H,6-13H2,1-5H3
InChIKeyXWHIIUKYFYKGKL-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.05
Rot. Bonds8

About 2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine

2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine (PubChem CID 63469797) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine
PubChem CID63469797
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine
SMILESCCCCN(C(C)CC)C1CC(C)CCC1NCC
InChIInChI=1S/C17H36N2/c1-6-9-12-19(15(5)7-2)17-13-14(4)10-11-16(17)18-8-3/h14-18H,6-13H2,1-5H3
InChIKeyXWHIIUKYFYKGKL-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine with MolForge

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Related Compounds

4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63469605
1-N-butan-2-yl-1-N-butyl-3-N-ethylcyclohexane-1,3-diamine
CID 79619259
2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466576
2-[butan-2-yl(butyl)amino]cyclooctan-1-ol
CID 63473248
4-ethyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63469963
2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile
CID 55005415
N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43223218
2-[butan-2-yl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 55000005
2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine
CID 63468159
2-butylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64653897
1-[butyl-(2-methylcyclopropyl)amino]ethanol
CID 89249341
N'-butan-2-yl-N-(2,5-dimethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 114132559

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine (CID 63469797) is 2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine is CCCCN(C(C)CC)C1CC(C)CCC1NCC.
What is the InChIKey of 2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine?
The InChIKey is XWHIIUKYFYKGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-9-12-19(15(5)7-2)17-13-14(4)10-11-16(17)18-8-3/h14-18H,6-13H2,1-5H3.
What are the key properties of 2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine?
2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-butyl-1-N-ethyl-4-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 63469797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).