1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine

C17H33F2N — CID 105102951

IUPAC1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine
SMILESCCCCC(CC)CC(NCC)C1CCC(F)(F)CC1
InChIInChI=1S/C17H33F2N/c1-4-7-8-14(5-2)13-16(20-6-3)15-9-11-17(18,19)12-10-15/h14-16,20H,4-13H2,1-3H3
InChIKeyGQXVNZUROWHHCQ-UHFFFAOYSA-N
MW289.45 g/mol
LogP5.40
Rot. Bonds9

About 1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine

1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine (PubChem CID 105102951) has the molecular formula C17H33F2N and a molecular weight of 289.45 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine
PubChem CID105102951
Molecular FormulaC17H33F2N
Molecular Weight289.45 g/mol
Exact Mass289.26
IUPAC Name1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine
SMILESCCCCC(CC)CC(NCC)C1CCC(F)(F)CC1
InChIInChI=1S/C17H33F2N/c1-4-7-8-14(5-2)13-16(20-6-3)15-9-11-17(18,19)12-10-15/h14-16,20H,4-13H2,1-3H3
InChIKeyGQXVNZUROWHHCQ-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.45
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-N,3-diethylheptan-1-amine
CID 64987044
1-cyclopropyl-3-ethyl-N-propylheptan-1-amine
CID 63413488
1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine
CID 65391623
1-(2,2-dimethylcyclopentyl)-N,3-diethylheptan-1-amine
CID 107187925
2-cyclopropyl-N,5-diethylnonan-3-amine
CID 115806059
1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine
CID 105153076
1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine
CID 105165589
1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine
CID 105128102
1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine
CID 105165065
[3-ethyl-1-(4-methylcyclohexyl)heptyl]hydrazine
CID 105210540
3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine
CID 65392509
N-(1-cyclohexylpropyl)-2-ethylhexan-1-amine
CID 63492618

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine (CID 105102951) is 1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine is CCCCC(CC)CC(NCC)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine?
The InChIKey is GQXVNZUROWHHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F2N/c1-4-7-8-14(5-2)13-16(20-6-3)15-9-11-17(18,19)12-10-15/h14-16,20H,4-13H2,1-3H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine?
1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine has a molecular weight of 289.45 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine is sourced from PubChem (CID 105102951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).