N-(3,3-difluorobutyl)-N,3-dimethylbutan-1-amine

C10H21F2N — CID 144899564

IUPACN-(3,3-difluorobutyl)-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)CCC(C)(F)F
InChIInChI=1S/C10H21F2N/c1-9(2)5-7-13(4)8-6-10(3,11)12/h9H,5-8H2,1-4H3
InChIKeyHKAWTDVCVMJXNF-UHFFFAOYSA-N
MW193.28 g/mol
LogP3.01
Rot. Bonds6

About N-(3,3-difluorobutyl)-N,3-dimethylbutan-1-amine

N-(3,3-difluorobutyl)-N,3-dimethylbutan-1-amine (PubChem CID 144899564) has the molecular formula C10H21F2N and a molecular weight of 193.28 g/mol. Its IUPAC name is N-(3,3-difluorobutyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(3,3-difluorobutyl)-N,3-dimethylbutan-1-amine
PubChem CID144899564
Molecular FormulaC10H21F2N
Molecular Weight193.28 g/mol
Exact Mass193.16
IUPAC NameN-(3,3-difluorobutyl)-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)CCC(C)(F)F
InChIInChI=1S/C10H21F2N/c1-9(2)5-7-13(4)8-6-10(3,11)12/h9H,5-8H2,1-4H3
InChIKeyHKAWTDVCVMJXNF-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-methylbutyl)diethylamine
CID 199672
N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine
CID 11276983
N-Isobutyl-2-methyl-N-(trifluoromethyl)-1-propanamine
CID 15105667
N,N-diethyl-1,1-difluoro-2,2-dimethylpropan-1-amine
CID 9989828
Dibutyl(2,2,2-trifluoroethyl)amine
CID 13510101
N,N-Dibutyl-N-(difluoromethyl)butan-1-aminium chloride
CID 24750688
Pentafluorotributylamine
CID 129731872
N-methyl-N-(3-methylbutyl)-1-propanamine
CID 59962235
Isoamyldibutylamine
CID 20558830
Nona-fluorotributylamine
CID 86154332
1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine
CID 135082782
(2-methylbutyl)-N,N'-diethylamine
CID 13315691

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorobutyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of N-(3,3-difluorobutyl)-N,3-dimethylbutan-1-amine (CID 144899564) is N-(3,3-difluorobutyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-(3,3-difluorobutyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-(3,3-difluorobutyl)-N,3-dimethylbutan-1-amine is CC(C)CCN(C)CCC(C)(F)F.
What is the InChIKey of N-(3,3-difluorobutyl)-N,3-dimethylbutan-1-amine?
The InChIKey is HKAWTDVCVMJXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N/c1-9(2)5-7-13(4)8-6-10(3,11)12/h9H,5-8H2,1-4H3.
What are the key properties of N-(3,3-difluorobutyl)-N,3-dimethylbutan-1-amine?
N-(3,3-difluorobutyl)-N,3-dimethylbutan-1-amine has a molecular weight of 193.28 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorobutyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 144899564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).