N-but-1-en-2-yl-2-fluoro-3,3-dimethylpentan-1-amine

C11H22FN — CID 174252636

IUPACN-but-1-en-2-yl-2-fluoro-3,3-dimethylpentan-1-amine
SMILESC=C(CC)NCC(F)C(C)(C)CC
InChIInChI=1S/C11H22FN/c1-6-9(3)13-8-10(12)11(4,5)7-2/h10,13H,3,6-8H2,1-2,4-5H3
InChIKeySHBLOXOJMNFPRW-UHFFFAOYSA-N
MW187.30 g/mol
LogP3.27
Rot. Bonds6

About N-but-1-en-2-yl-2-fluoro-3,3-dimethylpentan-1-amine

N-but-1-en-2-yl-2-fluoro-3,3-dimethylpentan-1-amine (PubChem CID 174252636) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is N-but-1-en-2-yl-2-fluoro-3,3-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-but-1-en-2-yl-2-fluoro-3,3-dimethylpentan-1-amine
PubChem CID174252636
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC NameN-but-1-en-2-yl-2-fluoro-3,3-dimethylpentan-1-amine
SMILESC=C(CC)NCC(F)C(C)(C)CC
InChIInChI=1S/C11H22FN/c1-6-9(3)13-8-10(12)11(4,5)7-2/h10,13H,3,6-8H2,1-2,4-5H3
InChIKeySHBLOXOJMNFPRW-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-2-fluoro-3,3-dimethylpentan-1-amine?
The IUPAC name of N-but-1-en-2-yl-2-fluoro-3,3-dimethylpentan-1-amine (CID 174252636) is N-but-1-en-2-yl-2-fluoro-3,3-dimethylpentan-1-amine.
What is the SMILES notation for N-but-1-en-2-yl-2-fluoro-3,3-dimethylpentan-1-amine?
The canonical SMILES for N-but-1-en-2-yl-2-fluoro-3,3-dimethylpentan-1-amine is C=C(CC)NCC(F)C(C)(C)CC.
What is the InChIKey of N-but-1-en-2-yl-2-fluoro-3,3-dimethylpentan-1-amine?
The InChIKey is SHBLOXOJMNFPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-6-9(3)13-8-10(12)11(4,5)7-2/h10,13H,3,6-8H2,1-2,4-5H3.
What are the key properties of N-but-1-en-2-yl-2-fluoro-3,3-dimethylpentan-1-amine?
N-but-1-en-2-yl-2-fluoro-3,3-dimethylpentan-1-amine has a molecular weight of 187.30 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-2-fluoro-3,3-dimethylpentan-1-amine is sourced from PubChem (CID 174252636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).