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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Related Compounds

N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine
CID 134441684
4-N-(3-fluoro-3-methylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine
CID 145203204
2-fluoro-3,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
CID 153602081
2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
CID 170005371
2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylhexane-1,6-diamine
CID 170005542
2-fluoro-N',3-dimethyl-N-(3-methylbut-1-en-2-yl)hexane-1,6-diamine
CID 170040888
N-(2-ethyl-4-fluorobutyl)-4,4-dimethylhex-1-en-2-amine
CID 153384724
N-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine
CID 162616930
N-(3-fluoro-3-methylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine
CID 166466547
4,4-dimethyl-N-prop-1-en-2-ylpentan-1-amine
CID 89193974
4,4-dimethyl-N-propan-2-ylpent-1-en-2-amine
CID 89707026
(Z)-5,5-dimethyl-2-N-propylhex-1-ene-1,2-diamine
CID 126487306

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).