ethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane

C18H39N — CID 142893702

IUPACethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane
SMILESCC(C)C1CC(C)C(C(C)C)C(C(C)C)C1.CCN
InChIInChI=1S/C16H32.C2H7N/c1-10(2)14-8-13(7)16(12(5)6)15(9-14)11(3)4;1-2-3/h10-16H,8-9H2,1-7H3;2-3H2,1H3
InChIKeyCMLJCMNTUPZCGV-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.20
Rot. Bonds3

About ethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane

ethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane (PubChem CID 142893702) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is ethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane.

Molecular Properties

Compound Nameethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane
PubChem CID142893702
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC Nameethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane
SMILESCC(C)C1CC(C)C(C(C)C)C(C(C)C)C1.CCN
InChIInChI=1S/C16H32.C2H7N/c1-10(2)14-8-13(7)16(12(5)6)15(9-14)11(3)4;1-2-3/h10-16H,8-9H2,1-7H3;2-3H2,1H3
InChIKeyCMLJCMNTUPZCGV-UHFFFAOYSA-N
XLogP5.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol
CID 90951781
1-butan-2-yl-2,3,5-tri(propan-2-yl)cyclohexane;ethane
CID 143343617
1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane
CID 90791175
1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane
CID 101318409
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
1-ethyl-2-methyl-4-propan-2-ylcyclohexane
CID 90923816
1,2-diethyl-3,4-di(propan-2-yl)cyclopentane
CID 143342433
1,4-dimethyl-2-propan-2-ylcyclopentane
CID 91513076
2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 91278744
(3-propan-2-ylcyclopentyl)methanamine
CID 55290681
1-fluoro-2,3-dimethyl-5-propan-2-ylcyclohexane
CID 123418337

Frequently Asked Questions

What is the IUPAC name of ethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane?
The IUPAC name of ethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane (CID 142893702) is ethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane.
What is the SMILES notation for ethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane?
The canonical SMILES for ethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane is CC(C)C1CC(C)C(C(C)C)C(C(C)C)C1.CCN.
What is the InChIKey of ethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane?
The InChIKey is CMLJCMNTUPZCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32.C2H7N/c1-10(2)14-8-13(7)16(12(5)6)15(9-14)11(3)4;1-2-3/h10-16H,8-9H2,1-7H3;2-3H2,1H3.
What are the key properties of ethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane?
ethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane has a molecular weight of 269.52 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane is sourced from PubChem (CID 142893702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).