1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine

C14H27F2N — CID 114246637

IUPAC1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine
SMILESCCCCC(C)C(N)CC1CCCC(F)(F)C1
InChIInChI=1S/C14H27F2N/c1-3-4-6-11(2)13(17)9-12-7-5-8-14(15,16)10-12/h11-13H,3-10,17H2,1-2H3
InChIKeyJLKJBZNIBMBGGN-UHFFFAOYSA-N
MW247.37 g/mol
LogP4.36
Rot. Bonds6

About 1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine

1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine (PubChem CID 114246637) has the molecular formula C14H27F2N and a molecular weight of 247.37 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine
PubChem CID114246637
Molecular FormulaC14H27F2N
Molecular Weight247.37 g/mol
Exact Mass247.21
IUPAC Name1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine
SMILESCCCCC(C)C(N)CC1CCCC(F)(F)C1
InChIInChI=1S/C14H27F2N/c1-3-4-6-11(2)13(17)9-12-7-5-8-14(15,16)10-12/h11-13H,3-10,17H2,1-2H3
InChIKeyJLKJBZNIBMBGGN-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
3-(2-chlorobutyl)-1,1-difluorocyclohexane
CID 126974576
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane
CID 130487710
4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 114225502
2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine
CID 114224934
[1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine
CID 114225995
ethyl 2-amino-3-[(3,3-difluorocyclohexyl)methylsulfanyl]propanoate
CID 114224116
4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
CID 114225157
1-(3-butyl-1-methylcyclohexyl)ethanamine
CID 167255751
1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol
CID 114224511
1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine
CID 114224804
2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol
CID 114224702

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine (CID 114246637) is 1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine is CCCCC(C)C(N)CC1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine?
The InChIKey is JLKJBZNIBMBGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2N/c1-3-4-6-11(2)13(17)9-12-7-5-8-14(15,16)10-12/h11-13H,3-10,17H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine?
1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine has a molecular weight of 247.37 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine is sourced from PubChem (CID 114246637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).