[(3-ethyl-3-methylhex-4-enyl)amino]methanol

C10H21NO — CID 167210620

IUPAC[(3-ethyl-3-methylhex-4-enyl)amino]methanol
SMILESCC=CC(C)(CC)CCNCO
InChIInChI=1S/C10H21NO/c1-4-6-10(3,5-2)7-8-11-9-12/h4,6,11-12H,5,7-9H2,1-3H3
InChIKeyWAEFAZDTISPSLH-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.91
Rot. Bonds6

About [(3-ethyl-3-methylhex-4-enyl)amino]methanol

[(3-ethyl-3-methylhex-4-enyl)amino]methanol (PubChem CID 167210620) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is [(3-ethyl-3-methylhex-4-enyl)amino]methanol.

Molecular Properties

Compound Name[(3-ethyl-3-methylhex-4-enyl)amino]methanol
PubChem CID167210620
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name[(3-ethyl-3-methylhex-4-enyl)amino]methanol
SMILESCC=CC(C)(CC)CCNCO
InChIInChI=1S/C10H21NO/c1-4-6-10(3,5-2)7-8-11-9-12/h4,6,11-12H,5,7-9H2,1-3H3
InChIKeyWAEFAZDTISPSLH-UHFFFAOYSA-N
XLogP1.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [(3-ethyl-3-methylhex-4-enyl)amino]methanol?
The IUPAC name of [(3-ethyl-3-methylhex-4-enyl)amino]methanol (CID 167210620) is [(3-ethyl-3-methylhex-4-enyl)amino]methanol.
What is the SMILES notation for [(3-ethyl-3-methylhex-4-enyl)amino]methanol?
The canonical SMILES for [(3-ethyl-3-methylhex-4-enyl)amino]methanol is CC=CC(C)(CC)CCNCO.
What is the InChIKey of [(3-ethyl-3-methylhex-4-enyl)amino]methanol?
The InChIKey is WAEFAZDTISPSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-6-10(3,5-2)7-8-11-9-12/h4,6,11-12H,5,7-9H2,1-3H3.
What are the key properties of [(3-ethyl-3-methylhex-4-enyl)amino]methanol?
[(3-ethyl-3-methylhex-4-enyl)amino]methanol has a molecular weight of 171.28 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-ethyl-3-methylhex-4-enyl)amino]methanol is sourced from PubChem (CID 167210620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).