4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine

C15H29F2N — CID 114225502

IUPAC4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)C(C)CC1CCCC(F)(F)C1
InChIInChI=1S/C15H29F2N/c1-11(2)18-10-13(4)12(3)8-14-6-5-7-15(16,17)9-14/h11-14,18H,5-10H2,1-4H3
InChIKeyPPEPLVUETGYWOS-UHFFFAOYSA-N
MW261.40 g/mol
LogP4.47
Rot. Bonds6

About 4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine

4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine (PubChem CID 114225502) has the molecular formula C15H29F2N and a molecular weight of 261.40 g/mol. Its IUPAC name is 4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
PubChem CID114225502
Molecular FormulaC15H29F2N
Molecular Weight261.40 g/mol
Exact Mass261.23
IUPAC Name4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)C(C)CC1CCCC(F)(F)C1
InChIInChI=1S/C15H29F2N/c1-11(2)18-10-13(4)12(3)8-14-6-5-7-15(16,17)9-14/h11-14,18H,5-10H2,1-4H3
InChIKeyPPEPLVUETGYWOS-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
4-(3,3-difluorocyclohexyl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
CID 114225157
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane
CID 130487710
3-(2-chlorobutyl)-1,1-difluorocyclohexane
CID 126974576
1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine
CID 114246637
1-(3,3-difluorocyclohexyl)-N-ethyl-3-propoxypropan-2-amine
CID 114224804
2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine
CID 114224934
2-[(3,3-difluorocyclohexyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114223959
[1-(3,3-difluorocyclohexyl)-3-ethoxyhexan-2-yl]hydrazine
CID 114225995
2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol
CID 114224702
2-(3,3-difluorocyclohexyl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
CID 114224891
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine (CID 114225502) is 4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(C)C(C)CC1CCCC(F)(F)C1.
What is the InChIKey of 4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is PPEPLVUETGYWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2N/c1-11(2)18-10-13(4)12(3)8-14-6-5-7-15(16,17)9-14/h11-14,18H,5-10H2,1-4H3.
What are the key properties of 4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 261.40 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 114225502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).