[[(E)-3-ethyl-2,2-dimethylhept-4-enyl]amino]methanol

C12H25NO — CID 143919080

IUPAC[[(E)-3-ethyl-2,2-dimethylhept-4-enyl]amino]methanol
SMILESCC/C=C/C(CC)C(C)(C)CNCO
InChIInChI=1S/C12H25NO/c1-5-7-8-11(6-2)12(3,4)9-13-10-14/h7-8,11,13-14H,5-6,9-10H2,1-4H3/b8-7+
InChIKeyPBOXDEITAHSBQZ-BQYQJAHWSA-N
MW199.34 g/mol
LogP2.54
Rot. Bonds7

About [[(E)-3-ethyl-2,2-dimethylhept-4-enyl]amino]methanol

[[(E)-3-ethyl-2,2-dimethylhept-4-enyl]amino]methanol (PubChem CID 143919080) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is [[(E)-3-ethyl-2,2-dimethylhept-4-enyl]amino]methanol.

Molecular Properties

Compound Name[[(E)-3-ethyl-2,2-dimethylhept-4-enyl]amino]methanol
PubChem CID143919080
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name[[(E)-3-ethyl-2,2-dimethylhept-4-enyl]amino]methanol
SMILESCC/C=C/C(CC)C(C)(C)CNCO
InChIInChI=1S/C12H25NO/c1-5-7-8-11(6-2)12(3,4)9-13-10-14/h7-8,11,13-14H,5-6,9-10H2,1-4H3/b8-7+
InChIKeyPBOXDEITAHSBQZ-BQYQJAHWSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.54
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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Related Compounds

(2-Cyclohex-2-en-1-ylethylamino)methanol
CID 121291358
[[(Z)-2-methyl-2-prop-2-enylpent-3-enyl]amino]methanol
CID 139468413
[(3-Ethyl-3-methylhex-4-enyl)amino]methanol
CID 167210620
[[(E)-2,8,8-trimethyldec-5-en-2-yl]amino]methanol
CID 142399777
(1R)-1-[[(Z)-2-ethyl-3-methyldec-4-enyl]amino]ethanol
CID 143359261

Frequently Asked Questions

What is the IUPAC name of [[(E)-3-ethyl-2,2-dimethylhept-4-enyl]amino]methanol?
The IUPAC name of [[(E)-3-ethyl-2,2-dimethylhept-4-enyl]amino]methanol (CID 143919080) is [[(E)-3-ethyl-2,2-dimethylhept-4-enyl]amino]methanol.
What is the SMILES notation for [[(E)-3-ethyl-2,2-dimethylhept-4-enyl]amino]methanol?
The canonical SMILES for [[(E)-3-ethyl-2,2-dimethylhept-4-enyl]amino]methanol is CC/C=C/C(CC)C(C)(C)CNCO.
What is the InChIKey of [[(E)-3-ethyl-2,2-dimethylhept-4-enyl]amino]methanol?
The InChIKey is PBOXDEITAHSBQZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-7-8-11(6-2)12(3,4)9-13-10-14/h7-8,11,13-14H,5-6,9-10H2,1-4H3/b8-7+.
What are the key properties of [[(E)-3-ethyl-2,2-dimethylhept-4-enyl]amino]methanol?
[[(E)-3-ethyl-2,2-dimethylhept-4-enyl]amino]methanol has a molecular weight of 199.34 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-3-ethyl-2,2-dimethylhept-4-enyl]amino]methanol is sourced from PubChem (CID 143919080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).