(2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine

C11H23NO — CID 163972019

IUPAC(2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine
SMILESC/C=C\C(CC)O[C@H](C)[C@@H](C)CN
InChIInChI=1S/C11H23NO/c1-5-7-11(6-2)13-10(4)9(3)8-12/h5,7,9-11H,6,8,12H2,1-4H3/b7-5-/t9-,10+,11?/m0/s1
InChIKeySQUONDGPNQCTSZ-DEZJUSMZSA-N
MW185.31 g/mol
LogP2.34
Rot. Bonds6

About (2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine

(2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine (PubChem CID 163972019) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name(2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine
PubChem CID163972019
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine
SMILESC/C=C\C(CC)O[C@H](C)[C@@H](C)CN
InChIInChI=1S/C11H23NO/c1-5-7-11(6-2)13-10(4)9(3)8-12/h5,7,9-11H,6,8,12H2,1-4H3/b7-5-/t9-,10+,11?/m0/s1
InChIKeySQUONDGPNQCTSZ-DEZJUSMZSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine with MolForge

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Related Compounds

(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropan-1-amine
CID 58208591
2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropan-1-amine
CID 68371976
2-(2,5-Dihydrofuran-2-yl)-3,3-difluoropropan-1-amine
CID 76702964
(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropan-1-amine
CID 130765187
2-[(2R)-2,5-dihydrofuran-2-yl]ethanamine
CID 55285440
(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine
CID 55290582
(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine
CID 58208612
2-(2,5-Dihydrofuran-2-yl)propan-1-amine
CID 67048587
2-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine
CID 68371974
2-[(2S)-2,5-dihydrofuran-2-yl]-N-methylpropan-1-amine
CID 70304399
3-[(Z)-7-methyloct-4-en-2-yl]oxypropan-1-amine
CID 89197345
(2S)-2-[(2R)-2,5-dihydrofuran-2-yl]propan-1-amine
CID 123578504

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine?
The IUPAC name of (2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine (CID 163972019) is (2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine.
What is the SMILES notation for (2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine?
The canonical SMILES for (2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine is C/C=C\C(CC)O[C@H](C)[C@@H](C)CN.
What is the InChIKey of (2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine?
The InChIKey is SQUONDGPNQCTSZ-DEZJUSMZSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-7-11(6-2)13-10(4)9(3)8-12/h5,7,9-11H,6,8,12H2,1-4H3/b7-5-/t9-,10+,11?/m0/s1.
What are the key properties of (2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine?
(2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(Z)-hex-4-en-3-yl]oxy-2-methylbutan-1-amine is sourced from PubChem (CID 163972019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).