[[(Z)-2-methyl-2-prop-2-enylpent-3-enyl]amino]methanol

C10H19NO — CID 139468413

IUPAC[[(Z)-2-methyl-2-prop-2-enylpent-3-enyl]amino]methanol
SMILESC=CCC(C)(/C=C\C)CNCO
InChIInChI=1S/C10H19NO/c1-4-6-10(3,7-5-2)8-11-9-12/h4-5,7,11-12H,1,6,8-9H2,2-3H3/b7-5-
InChIKeyYRKQKFVCEJWHKK-ALCCZGGFSA-N
MW169.27 g/mol
LogP1.68
Rot. Bonds6

About [[(Z)-2-methyl-2-prop-2-enylpent-3-enyl]amino]methanol

[[(Z)-2-methyl-2-prop-2-enylpent-3-enyl]amino]methanol (PubChem CID 139468413) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [[(Z)-2-methyl-2-prop-2-enylpent-3-enyl]amino]methanol.

Molecular Properties

Compound Name[[(Z)-2-methyl-2-prop-2-enylpent-3-enyl]amino]methanol
PubChem CID139468413
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[[(Z)-2-methyl-2-prop-2-enylpent-3-enyl]amino]methanol
SMILESC=CCC(C)(/C=C\C)CNCO
InChIInChI=1S/C10H19NO/c1-4-6-10(3,7-5-2)8-11-9-12/h4-5,7,11-12H,1,6,8-9H2,2-3H3/b7-5-
InChIKeyYRKQKFVCEJWHKK-ALCCZGGFSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[(Z)-2-methyl-2-prop-2-enylpent-3-enyl]amino]methanol?
The IUPAC name of [[(Z)-2-methyl-2-prop-2-enylpent-3-enyl]amino]methanol (CID 139468413) is [[(Z)-2-methyl-2-prop-2-enylpent-3-enyl]amino]methanol.
What is the SMILES notation for [[(Z)-2-methyl-2-prop-2-enylpent-3-enyl]amino]methanol?
The canonical SMILES for [[(Z)-2-methyl-2-prop-2-enylpent-3-enyl]amino]methanol is C=CCC(C)(/C=C\C)CNCO.
What is the InChIKey of [[(Z)-2-methyl-2-prop-2-enylpent-3-enyl]amino]methanol?
The InChIKey is YRKQKFVCEJWHKK-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-6-10(3,7-5-2)8-11-9-12/h4-5,7,11-12H,1,6,8-9H2,2-3H3/b7-5-.
What are the key properties of [[(Z)-2-methyl-2-prop-2-enylpent-3-enyl]amino]methanol?
[[(Z)-2-methyl-2-prop-2-enylpent-3-enyl]amino]methanol has a molecular weight of 169.27 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(Z)-2-methyl-2-prop-2-enylpent-3-enyl]amino]methanol is sourced from PubChem (CID 139468413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).