(2S)-3-fluoro-4-methyl-N-propan-2-ylpent-3-en-2-amine

C9H18FN — CID 146435947

IUPAC(2S)-3-fluoro-4-methyl-N-propan-2-ylpent-3-en-2-amine
SMILESCC(C)=C(F)[C@H](C)NC(C)C
InChIInChI=1S/C9H18FN/c1-6(2)9(10)8(5)11-7(3)4/h7-8,11H,1-5H3/t8-/m0/s1
InChIKeyKOXHECNTCCGPOB-QMMMGPOBSA-N
MW159.25 g/mol
LogP2.64
Rot. Bonds3

About (2S)-3-fluoro-4-methyl-N-propan-2-ylpent-3-en-2-amine

(2S)-3-fluoro-4-methyl-N-propan-2-ylpent-3-en-2-amine (PubChem CID 146435947) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (2S)-3-fluoro-4-methyl-N-propan-2-ylpent-3-en-2-amine.

Molecular Properties

Compound Name(2S)-3-fluoro-4-methyl-N-propan-2-ylpent-3-en-2-amine
PubChem CID146435947
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(2S)-3-fluoro-4-methyl-N-propan-2-ylpent-3-en-2-amine
SMILESCC(C)=C(F)[C@H](C)NC(C)C
InChIInChI=1S/C9H18FN/c1-6(2)9(10)8(5)11-7(3)4/h7-8,11H,1-5H3/t8-/m0/s1
InChIKeyKOXHECNTCCGPOB-QMMMGPOBSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-N-ethyl-3-fluoro-2-propan-2-ylbut-2-en-1-amine
CID 135269207
(E,2S)-N-ethyl-3-fluorohex-3-en-2-amine
CID 139323857
3-fluoro-N,4-dimethylpent-3-en-2-amine
CID 145325822
(2S)-3-fluoro-N,4-dimethylpent-3-en-2-amine
CID 156837500
(E)-5-fluoro-N,4,5-trimethylhex-3-en-2-amine
CID 166651412
(E)-6-fluoro-5-methyl-N-propylhex-4-en-2-amine
CID 166922368
(E)-4,5-difluoro-N-propan-2-ylhex-3-en-2-amine
CID 169932770
1,1-difluoro-4-methyl-N-propylpent-3-en-2-amine
CID 103516829
N-ethyl-1,1-difluoro-4-methylpent-3-en-2-amine
CID 103516830
N-ethyl-1,1,1-trifluoro-4-methylpent-3-en-2-amine
CID 105004627
1,1,1-trifluoro-4-methyl-N-propylpent-3-en-2-amine
CID 105004793
(2S,5R)-2,5-diethyl-3,4-dimethyl-2,5-dihydro-1H-pyrrole
CID 14248778

Frequently Asked Questions

What is the IUPAC name of (2S)-3-fluoro-4-methyl-N-propan-2-ylpent-3-en-2-amine?
The IUPAC name of (2S)-3-fluoro-4-methyl-N-propan-2-ylpent-3-en-2-amine (CID 146435947) is (2S)-3-fluoro-4-methyl-N-propan-2-ylpent-3-en-2-amine.
What is the SMILES notation for (2S)-3-fluoro-4-methyl-N-propan-2-ylpent-3-en-2-amine?
The canonical SMILES for (2S)-3-fluoro-4-methyl-N-propan-2-ylpent-3-en-2-amine is CC(C)=C(F)[C@H](C)NC(C)C.
What is the InChIKey of (2S)-3-fluoro-4-methyl-N-propan-2-ylpent-3-en-2-amine?
The InChIKey is KOXHECNTCCGPOB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18FN/c1-6(2)9(10)8(5)11-7(3)4/h7-8,11H,1-5H3/t8-/m0/s1.
What are the key properties of (2S)-3-fluoro-4-methyl-N-propan-2-ylpent-3-en-2-amine?
(2S)-3-fluoro-4-methyl-N-propan-2-ylpent-3-en-2-amine has a molecular weight of 159.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-fluoro-4-methyl-N-propan-2-ylpent-3-en-2-amine is sourced from PubChem (CID 146435947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).