N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine

C11H23F2N — CID 102903901

IUPACN-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNC(C)C(F)F)C(C)C
InChIInChI=1S/C11H23F2N/c1-7(2)10(8(3)4)6-14-9(5)11(12)13/h7-11,14H,6H2,1-5H3
InChIKeyLCNSNHUFQAFGSO-UHFFFAOYSA-N
MW207.31 g/mol
LogP3.16
Rot. Bonds6

About N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine

N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 102903901) has the molecular formula C11H23F2N and a molecular weight of 207.31 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
PubChem CID102903901
Molecular FormulaC11H23F2N
Molecular Weight207.31 g/mol
Exact Mass207.18
IUPAC NameN-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNC(C)C(F)F)C(C)C
InChIInChI=1S/C11H23F2N/c1-7(2)10(8(3)4)6-14-9(5)11(12)13/h7-11,14H,6H2,1-5H3
InChIKeyLCNSNHUFQAFGSO-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904336
N-(2,2-difluoroethyl)-3-methylbutan-2-amine
CID 60922159
3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine
CID 102904025
N'-(1,1-difluoropropan-2-yl)ethane-1,2-diamine
CID 102869079
3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine
CID 102912296
1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 102868158
N-(1,1-difluoropropan-2-yl)-2-methylpentan-3-amine
CID 102869336
N-(1,1-difluoropropan-2-yl)-2-methylprop-2-en-1-amine
CID 102870155
N-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine
CID 102869530
(3R)-3-[(3-methyl-2-propan-2-ylbutyl)amino]butan-2-one
CID 58693175
N-(1,1-difluoropropan-2-yl)-4-methylpentan-1-amine
CID 102869254
4-(1,1-difluoropropan-2-ylamino)butan-2-ol
CID 102869648

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine (CID 102903901) is N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine is CC(C)C(CNC(C)C(F)F)C(C)C.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is LCNSNHUFQAFGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N/c1-7(2)10(8(3)4)6-14-9(5)11(12)13/h7-11,14H,6H2,1-5H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine?
N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 207.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102903901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).