6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine

C16H33N — CID 167083004

IUPAC6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine
SMILESCCCC(C(C)CN)C(C)CC(C)C1CCC1
InChIInChI=1S/C16H33N/c1-5-7-16(14(4)11-17)13(3)10-12(2)15-8-6-9-15/h12-16H,5-11,17H2,1-4H3
InChIKeyNVBNKHOGPLEADT-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.46
Rot. Bonds8

About 6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine

6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine (PubChem CID 167083004) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine.

Molecular Properties

Compound Name6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine
PubChem CID167083004
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine
SMILESCCCC(C(C)CN)C(C)CC(C)C1CCC1
InChIInChI=1S/C16H33N/c1-5-7-16(14(4)11-17)13(3)10-12(2)15-8-6-9-15/h12-16H,5-11,17H2,1-4H3
InChIKeyNVBNKHOGPLEADT-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-dimethylheptan-2-ylcyclobutane
CID 123660607
(5-cyclobutyl-4-methylhexan-2-yl)cyclopentane
CID 123949424
ethane;pentan-2-ylcyclohexane
CID 143225886
butane;pentan-2-ylcyclohexane
CID 143682251
(4-methyl-3-propyloctan-2-yl)cyclobutane
CID 20695675
(2S)-2-cycloheptylpropan-1-amine
CID 96634967
ethane;4-methylpentan-2-ylcyclobutane
CID 158871771
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
2-cyclohexylpropan-1-amine;hydrochloride
CID 24837056
(1R)-1-cyclobutylbutan-1-amine
CID 55293085
(1-cyclopentyl-2-methylpentyl)hydrazine
CID 105282461
1-cyclobutylpentane-1,2-diol
CID 103454869

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine?
The IUPAC name of 6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine (CID 167083004) is 6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine.
What is the SMILES notation for 6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine?
The canonical SMILES for 6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine is CCCC(C(C)CN)C(C)CC(C)C1CCC1.
What is the InChIKey of 6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine?
The InChIKey is NVBNKHOGPLEADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-5-7-16(14(4)11-17)13(3)10-12(2)15-8-6-9-15/h12-16H,5-11,17H2,1-4H3.
What are the key properties of 6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine?
6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-2,4-dimethyl-3-propylheptan-1-amine is sourced from PubChem (CID 167083004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).