N-(1,1-difluoropropan-2-yl)-2-methylpentan-3-amine

C9H19F2N — CID 102869336

IUPACN-(1,1-difluoropropan-2-yl)-2-methylpentan-3-amine
SMILESCCC(NC(C)C(F)F)C(C)C
InChIInChI=1S/C9H19F2N/c1-5-8(6(2)3)12-7(4)9(10)11/h6-9,12H,5H2,1-4H3
InChIKeyRUVLMQRPPLCKEQ-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.66
Rot. Bonds5

About N-(1,1-difluoropropan-2-yl)-2-methylpentan-3-amine

N-(1,1-difluoropropan-2-yl)-2-methylpentan-3-amine (PubChem CID 102869336) has the molecular formula C9H19F2N and a molecular weight of 179.25 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-2-methylpentan-3-amine
PubChem CID102869336
Molecular FormulaC9H19F2N
Molecular Weight179.25 g/mol
Exact Mass179.15
IUPAC NameN-(1,1-difluoropropan-2-yl)-2-methylpentan-3-amine
SMILESCCC(NC(C)C(F)F)C(C)C
InChIInChI=1S/C9H19F2N/c1-5-8(6(2)3)12-7(4)9(10)11/h6-9,12H,5H2,1-4H3
InChIKeyRUVLMQRPPLCKEQ-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[[(3R)-2-methylpentan-3-yl]amino]butan-1-ol
CID 93285453
N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102903901
N,N,3-trimethyl-2-(2-methylpentan-3-ylamino)butanamide
CID 115711305
N-(1-cyclopropylpropyl)-2-methylpentan-3-amine
CID 64917590
N-(1,1-difluoropropan-2-yl)heptan-2-amine
CID 102868275
N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
CID 60928177
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpentan-3-amine
CID 43787074
ethyl 2-fluoro-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]butanoate
CID 103859840
2-(2-methylpentan-3-ylamino)pentanoic acid
CID 65055510
1-N,1-N,4-trimethyl-2-N-(2-methylpentan-3-yl)pentane-1,2-diamine
CID 43792413
2-methyl-N-(2-methylbutyl)pentan-3-amine
CID 61468909
2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide
CID 103733242

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-2-methylpentan-3-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-2-methylpentan-3-amine (CID 102869336) is N-(1,1-difluoropropan-2-yl)-2-methylpentan-3-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-2-methylpentan-3-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-2-methylpentan-3-amine is CCC(NC(C)C(F)F)C(C)C.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-2-methylpentan-3-amine?
The InChIKey is RUVLMQRPPLCKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N/c1-5-8(6(2)3)12-7(4)9(10)11/h6-9,12H,5H2,1-4H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-2-methylpentan-3-amine?
N-(1,1-difluoropropan-2-yl)-2-methylpentan-3-amine has a molecular weight of 179.25 g/mol, XLogP of 2.66, 5 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)-2-methylpentan-3-amine is sourced from PubChem (CID 102869336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).