3-[(Z)-but-2-en-2-yl]oxy-4-methylpent-3-en-1-amine

C10H19NO — CID 177319748

IUPAC3-[(Z)-but-2-en-2-yl]oxy-4-methylpent-3-en-1-amine
SMILESC/C=C(/C)OC(CCN)=C(C)C
InChIInChI=1S/C10H19NO/c1-5-9(4)12-10(6-7-11)8(2)3/h5H,6-7,11H2,1-4H3/b9-5-
InChIKeyPBOQJEPJWMRKOO-UITAMQMPSA-N
MW169.27 g/mol
LogP2.57
Rot. Bonds4

About 3-[(Z)-but-2-en-2-yl]oxy-4-methylpent-3-en-1-amine

3-[(Z)-but-2-en-2-yl]oxy-4-methylpent-3-en-1-amine (PubChem CID 177319748) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-[(Z)-but-2-en-2-yl]oxy-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name3-[(Z)-but-2-en-2-yl]oxy-4-methylpent-3-en-1-amine
PubChem CID177319748
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-[(Z)-but-2-en-2-yl]oxy-4-methylpent-3-en-1-amine
SMILESC/C=C(/C)OC(CCN)=C(C)C
InChIInChI=1S/C10H19NO/c1-5-9(4)12-10(6-7-11)8(2)3/h5H,6-7,11H2,1-4H3/b9-5-
InChIKeyPBOQJEPJWMRKOO-UITAMQMPSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-ethyl-3-prop-1-en-2-yloxybut-2-en-1-amine
CID 135258420
4-(5-Aminopent-2-en-2-yloxy)pent-3-en-1-amine
CID 139640613
4-(5-Amino-3-methylpent-2-en-2-yl)oxy-3-methylpent-3-en-1-amine
CID 140515727
(E)-3-[(2-methylpropan-2-yl)oxy]hex-3-en-1-amine
CID 144135085
3-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-2-yl]oxybutan-1-amine
CID 145277460
5-(6-Aminohex-2-en-2-yloxy)hex-4-en-1-amine
CID 153522560
2,2-dimethyl-3-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]oxypropan-1-amine
CID 154950332
3-[(E)-6-methylhept-3-en-3-yl]oxypropan-1-amine
CID 156376449
3-[(E)-but-2-en-2-yl]oxy-4-methylpent-3-en-1-amine
CID 170047790
3-[(E)-hex-3-en-3-yl]oxypropan-1-amine
CID 177047339
4-[(Z)-but-2-en-2-yl]oxy-5-methylhex-4-en-1-amine
CID 177319646
3-methyl-2-[(Z)-pent-2-en-2-yl]oxybut-2-en-1-amine
CID 177319822

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-2-en-2-yl]oxy-4-methylpent-3-en-1-amine?
The IUPAC name of 3-[(Z)-but-2-en-2-yl]oxy-4-methylpent-3-en-1-amine (CID 177319748) is 3-[(Z)-but-2-en-2-yl]oxy-4-methylpent-3-en-1-amine.
What is the SMILES notation for 3-[(Z)-but-2-en-2-yl]oxy-4-methylpent-3-en-1-amine?
The canonical SMILES for 3-[(Z)-but-2-en-2-yl]oxy-4-methylpent-3-en-1-amine is C/C=C(/C)OC(CCN)=C(C)C.
What is the InChIKey of 3-[(Z)-but-2-en-2-yl]oxy-4-methylpent-3-en-1-amine?
The InChIKey is PBOQJEPJWMRKOO-UITAMQMPSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-9(4)12-10(6-7-11)8(2)3/h5H,6-7,11H2,1-4H3/b9-5-.
What are the key properties of 3-[(Z)-but-2-en-2-yl]oxy-4-methylpent-3-en-1-amine?
3-[(Z)-but-2-en-2-yl]oxy-4-methylpent-3-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-2-en-2-yl]oxy-4-methylpent-3-en-1-amine is sourced from PubChem (CID 177319748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).