2-(butylaminomethyl)-4-methylpent-1-en-3-ol

C11H23NO — CID 10241522

IUPAC2-(butylaminomethyl)-4-methylpent-1-en-3-ol
SMILESC=C(CNCCCC)C(O)C(C)C
InChIInChI=1S/C11H23NO/c1-5-6-7-12-8-10(4)11(13)9(2)3/h9,11-13H,4-8H2,1-3H3
InChIKeySVHCMCPVZLKOTB-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.95
Rot. Bonds7

About 2-(butylaminomethyl)-4-methylpent-1-en-3-ol

2-(butylaminomethyl)-4-methylpent-1-en-3-ol (PubChem CID 10241522) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(butylaminomethyl)-4-methylpent-1-en-3-ol.

Molecular Properties

Compound Name2-(butylaminomethyl)-4-methylpent-1-en-3-ol
PubChem CID10241522
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(butylaminomethyl)-4-methylpent-1-en-3-ol
SMILESC=C(CNCCCC)C(O)C(C)C
InChIInChI=1S/C11H23NO/c1-5-6-7-12-8-10(4)11(13)9(2)3/h9,11-13H,4-8H2,1-3H3
InChIKeySVHCMCPVZLKOTB-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(butylaminomethyl)-4-methylpent-1-en-3-ol?
The IUPAC name of 2-(butylaminomethyl)-4-methylpent-1-en-3-ol (CID 10241522) is 2-(butylaminomethyl)-4-methylpent-1-en-3-ol.
What is the SMILES notation for 2-(butylaminomethyl)-4-methylpent-1-en-3-ol?
The canonical SMILES for 2-(butylaminomethyl)-4-methylpent-1-en-3-ol is C=C(CNCCCC)C(O)C(C)C.
What is the InChIKey of 2-(butylaminomethyl)-4-methylpent-1-en-3-ol?
The InChIKey is SVHCMCPVZLKOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-6-7-12-8-10(4)11(13)9(2)3/h9,11-13H,4-8H2,1-3H3.
What are the key properties of 2-(butylaminomethyl)-4-methylpent-1-en-3-ol?
2-(butylaminomethyl)-4-methylpent-1-en-3-ol has a molecular weight of 185.31 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylaminomethyl)-4-methylpent-1-en-3-ol is sourced from PubChem (CID 10241522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).