2-methyl-4-(prop-1-en-2-ylamino)hex-1-en-3-ol

C10H19NO — CID 138739505

IUPAC2-methyl-4-(prop-1-en-2-ylamino)hex-1-en-3-ol
SMILESC=C(C)NC(CC)C(O)C(=C)C
InChIInChI=1S/C10H19NO/c1-6-9(11-8(4)5)10(12)7(2)3/h9-12H,2,4,6H2,1,3,5H3
InChIKeyRCXIUAMQQMOKRE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.83
Rot. Bonds5

About 2-methyl-4-(prop-1-en-2-ylamino)hex-1-en-3-ol

2-methyl-4-(prop-1-en-2-ylamino)hex-1-en-3-ol (PubChem CID 138739505) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-methyl-4-(prop-1-en-2-ylamino)hex-1-en-3-ol.

Molecular Properties

Compound Name2-methyl-4-(prop-1-en-2-ylamino)hex-1-en-3-ol
PubChem CID138739505
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-methyl-4-(prop-1-en-2-ylamino)hex-1-en-3-ol
SMILESC=C(C)NC(CC)C(O)C(=C)C
InChIInChI=1S/C10H19NO/c1-6-9(11-8(4)5)10(12)7(2)3/h9-12H,2,4,6H2,1,3,5H3
InChIKeyRCXIUAMQQMOKRE-UHFFFAOYSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(prop-1-en-2-ylamino)hex-1-en-3-ol?
The IUPAC name of 2-methyl-4-(prop-1-en-2-ylamino)hex-1-en-3-ol (CID 138739505) is 2-methyl-4-(prop-1-en-2-ylamino)hex-1-en-3-ol.
What is the SMILES notation for 2-methyl-4-(prop-1-en-2-ylamino)hex-1-en-3-ol?
The canonical SMILES for 2-methyl-4-(prop-1-en-2-ylamino)hex-1-en-3-ol is C=C(C)NC(CC)C(O)C(=C)C.
What is the InChIKey of 2-methyl-4-(prop-1-en-2-ylamino)hex-1-en-3-ol?
The InChIKey is RCXIUAMQQMOKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-9(11-8(4)5)10(12)7(2)3/h9-12H,2,4,6H2,1,3,5H3.
What are the key properties of 2-methyl-4-(prop-1-en-2-ylamino)hex-1-en-3-ol?
2-methyl-4-(prop-1-en-2-ylamino)hex-1-en-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(prop-1-en-2-ylamino)hex-1-en-3-ol is sourced from PubChem (CID 138739505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).