1-cyclobutyl-N-ethyl-4,6,6-trimethylheptan-2-amine

C16H33N — CID 115863733

IUPAC1-cyclobutyl-N-ethyl-4,6,6-trimethylheptan-2-amine
SMILESCCNC(CC(C)CC(C)(C)C)CC1CCC1
InChIInChI=1S/C16H33N/c1-6-17-15(11-14-8-7-9-14)10-13(2)12-16(3,4)5/h13-15,17H,6-12H2,1-5H3
InChIKeyCKLBIQZFTDQINV-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.62
Rot. Bonds7

About 1-cyclobutyl-N-ethyl-4,6,6-trimethylheptan-2-amine

1-cyclobutyl-N-ethyl-4,6,6-trimethylheptan-2-amine (PubChem CID 115863733) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-cyclobutyl-N-ethyl-4,6,6-trimethylheptan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-ethyl-4,6,6-trimethylheptan-2-amine
PubChem CID115863733
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-cyclobutyl-N-ethyl-4,6,6-trimethylheptan-2-amine
SMILESCCNC(CC(C)CC(C)(C)C)CC1CCC1
InChIInChI=1S/C16H33N/c1-6-17-15(11-14-8-7-9-14)10-13(2)12-16(3,4)5/h13-15,17H,6-12H2,1-5H3
InChIKeyCKLBIQZFTDQINV-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-N-ethyl-4-methylhexan-2-amine
CID 115846177
1-cyclobutyl-3-cyclopentyl-N-ethylpropan-2-amine
CID 115863503
1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 105027808
1,3-dicyclopentyl-N-ethylpropan-2-amine
CID 115847226
1-cyclobutyl-N-ethyl-5-methylhexan-2-amine
CID 65458371
1-cycloheptyl-3-cyclopropyl-N-ethylpropan-2-amine
CID 104986481
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-4,6,6-trimethylheptan-2-amine
CID 105003611
(1-cyclohexyl-5,7,7-trimethyloctan-3-yl)hydrazine
CID 114193441
1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103168468
1-cyclopentyl-4-methyl-N-propylhexan-2-amine
CID 115846282
1-cyclopentyl-3,5,5-trimethylhexan-1-amine
CID 115778345
1-(3,4-dimethylcyclohexyl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 104989443

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-ethyl-4,6,6-trimethylheptan-2-amine?
The IUPAC name of 1-cyclobutyl-N-ethyl-4,6,6-trimethylheptan-2-amine (CID 115863733) is 1-cyclobutyl-N-ethyl-4,6,6-trimethylheptan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-ethyl-4,6,6-trimethylheptan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-ethyl-4,6,6-trimethylheptan-2-amine is CCNC(CC(C)CC(C)(C)C)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-ethyl-4,6,6-trimethylheptan-2-amine?
The InChIKey is CKLBIQZFTDQINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-6-17-15(11-14-8-7-9-14)10-13(2)12-16(3,4)5/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 1-cyclobutyl-N-ethyl-4,6,6-trimethylheptan-2-amine?
1-cyclobutyl-N-ethyl-4,6,6-trimethylheptan-2-amine has a molecular weight of 239.45 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-ethyl-4,6,6-trimethylheptan-2-amine is sourced from PubChem (CID 115863733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).