2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine

C9H20FN — CID 112566856

IUPAC2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine
SMILESCC(C)CC(F)(CN)C(C)C
InChIInChI=1S/C9H20FN/c1-7(2)5-9(10,6-11)8(3)4/h7-8H,5-6,11H2,1-4H3
InChIKeyHJBCQJRMDRAFOI-UHFFFAOYSA-N
MW161.26 g/mol
LogP2.36
Rot. Bonds4

About 2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine

2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine (PubChem CID 112566856) has the molecular formula C9H20FN and a molecular weight of 161.26 g/mol. Its IUPAC name is 2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine
PubChem CID112566856
Molecular FormulaC9H20FN
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC Name2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine
SMILESCC(C)CC(F)(CN)C(C)C
InChIInChI=1S/C9H20FN/c1-7(2)5-9(10,6-11)8(3)4/h7-8H,5-6,11H2,1-4H3
InChIKeyHJBCQJRMDRAFOI-UHFFFAOYSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride
CID 122239506
2-ethyl-2-fluoro-3-methylbutan-1-amine
CID 112565881
2,2-difluoro-3-methylbutan-1-amine
CID 22002026
2-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 83915194
2,2-difluoro-3-methylbutan-1-amine;hydrochloride
CID 105431378
2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 112566808
2-fluoro-2-[(4-iodophenyl)methyl]-3-methylbutan-1-amine
CID 112566939
bis(2,6-dimethyl-4,4-bis(2-methylpropyl)heptane);methane
CID 159457084
3,3-difluoro-2,2,4-trimethylpentan-1-amine
CID 116839608
2-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 112566729
2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 112645708
N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine
CID 114868730

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine?
The IUPAC name of 2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine (CID 112566856) is 2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine is CC(C)CC(F)(CN)C(C)C.
What is the InChIKey of 2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine?
The InChIKey is HJBCQJRMDRAFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FN/c1-7(2)5-9(10,6-11)8(3)4/h7-8H,5-6,11H2,1-4H3.
What are the key properties of 2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine?
2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine has a molecular weight of 161.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine is sourced from PubChem (CID 112566856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).