(2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine

C9H20FN — CID 168776227

IUPAC(2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)C[C@@H](CF)NC(C)C
InChIInChI=1S/C9H20FN/c1-7(2)5-9(6-10)11-8(3)4/h7-9,11H,5-6H2,1-4H3/t9-/m0/s1
InChIKeyNERPYVKRAFBIBG-VIFPVBQESA-N
MW161.26 g/mol
LogP2.37
Rot. Bonds5

About (2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine

(2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine (PubChem CID 168776227) has the molecular formula C9H20FN and a molecular weight of 161.26 g/mol. Its IUPAC name is (2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine
PubChem CID168776227
Molecular FormulaC9H20FN
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC Name(2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)C[C@@H](CF)NC(C)C
InChIInChI=1S/C9H20FN/c1-7(2)5-9(6-10)11-8(3)4/h7-9,11H,5-6H2,1-4H3/t9-/m0/s1
InChIKeyNERPYVKRAFBIBG-VIFPVBQESA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-Pentanediamine, 2-methyl-N1,N5-bis(1-methylethyl)-
CID 164123
1,1',3,3'-Tetramethyldibutylamine
CID 96012
N-Ethyl-1-amino-1,3-dimethylbutane
CID 39359
2-Hexylamine, N,5-dimethyl-
CID 44596
N,4-Dimethyl-2-pentanamine
CID 16777019
(2-Methylpropyl)(pentan-3-yl)amine
CID 28428271
4-Methyl-N-(4-methylpentyl)-1-pentanamine
CID 575039
4-methyl-N-propylpentan-2-amine
CID 24702983
2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 24848525
N-ethyl-2-methylpentan-2-amine
CID 214510
4-fluoro-N-(2-methylpropyl)butan-1-amine
CID 17863072
1,1,1-trifluoro-4-methyl-N-propan-2-ylpentan-3-amine
CID 21063755

Frequently Asked Questions

What is the IUPAC name of (2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine?
The IUPAC name of (2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine (CID 168776227) is (2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine.
What is the SMILES notation for (2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine?
The canonical SMILES for (2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine is CC(C)C[C@@H](CF)NC(C)C.
What is the InChIKey of (2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine?
The InChIKey is NERPYVKRAFBIBG-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20FN/c1-7(2)5-9(6-10)11-8(3)4/h7-9,11H,5-6H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine?
(2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine has a molecular weight of 161.26 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine is sourced from PubChem (CID 168776227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).