1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine

C13H25F2N — CID 102869767

IUPAC1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)CC1(CNC(C)C(F)F)CCCC1
InChIInChI=1S/C13H25F2N/c1-10(2)8-13(6-4-5-7-13)9-16-11(3)12(14)15/h10-12,16H,4-9H2,1-3H3
InChIKeyXFDYWGRDTWXGRJ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.84
Rot. Bonds6

About 1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine

1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 102869767) has the molecular formula C13H25F2N and a molecular weight of 233.35 g/mol. Its IUPAC name is 1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine
PubChem CID102869767
Molecular FormulaC13H25F2N
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)CC1(CNC(C)C(F)F)CCCC1
InChIInChI=1S/C13H25F2N/c1-10(2)8-13(6-4-5-7-13)9-16-11(3)12(14)15/h10-12,16H,4-9H2,1-3H3
InChIKeyXFDYWGRDTWXGRJ-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]cyclobutyl]methanamine
CID 113311851
N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine
CID 62905553
1-cyclopropyl-3-[[1-(2-methylpropyl)cyclopentyl]methyl]thiourea
CID 115687367
1-[1-(2-methylpropyl)cyclopentyl]-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 114269796
1-(4-bromothiophen-2-yl)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
CID 107354446
methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate
CID 112617453
1-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119788836
N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine
CID 167274692
5,5-diethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 106251174
2-(methylamino)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide
CID 119788858
2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide
CID 114328916
1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea
CID 116656790

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of 1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine (CID 102869767) is 1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine is CC(C)CC1(CNC(C)C(F)F)CCCC1.
What is the InChIKey of 1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is XFDYWGRDTWXGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2N/c1-10(2)8-13(6-4-5-7-13)9-16-11(3)12(14)15/h10-12,16H,4-9H2,1-3H3.
What are the key properties of 1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine?
1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 102869767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).