2-ethyl-2-[(pent-4-enylamino)methyl]butan-1-ol

C12H25NO — CID 106256302

IUPAC2-ethyl-2-[(pent-4-enylamino)methyl]butan-1-ol
SMILESC=CCCCNCC(CC)(CC)CO
InChIInChI=1S/C12H25NO/c1-4-7-8-9-13-10-12(5-2,6-3)11-14/h4,13-14H,1,5-11H2,2-3H3
InChIKeyWEZVSHSFELVHKB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.34
Rot. Bonds9

About 2-ethyl-2-[(pent-4-enylamino)methyl]butan-1-ol

2-ethyl-2-[(pent-4-enylamino)methyl]butan-1-ol (PubChem CID 106256302) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-ethyl-2-[(pent-4-enylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(pent-4-enylamino)methyl]butan-1-ol
PubChem CID106256302
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-ethyl-2-[(pent-4-enylamino)methyl]butan-1-ol
SMILESC=CCCCNCC(CC)(CC)CO
InChIInChI=1S/C12H25NO/c1-4-7-8-9-13-10-12(5-2,6-3)11-14/h4,13-14H,1,5-11H2,2-3H3
InChIKeyWEZVSHSFELVHKB-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.34
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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Related Compounds

2-Ethyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol
CID 22892476
3-(Methylaminomethyl)hex-5-en-1-ol
CID 23122164
[1-(Methylaminomethyl)cyclopent-3-en-1-yl]methanol
CID 54285736
3-(But-3-enylamino)-2,2-dimethylpropan-1-ol
CID 57591267
1-(2-Prop-2-enylpent-4-enylamino)ethanol
CID 87438840
3-(3-Hydroxypropylamino)-3-prop-2-enylhex-5-en-1-ol
CID 87685914
2-Prop-2-enyl-2-[(prop-2-enylamino)methyl]propane-1,3-diol
CID 87784042
2,2-Bis[(prop-2-enylamino)methyl]butan-1-ol
CID 88886711
2,2-Dimethyl-3-(pent-4-enylamino)propan-1-ol
CID 115359803
[1-[(Pent-4-enylamino)methyl]cyclopropyl]methanol
CID 115454803
2-ethyl-N-(1-methoxyethyl)-2-methylpent-4-en-1-amine
CID 139312912
2-Ethyl-2-methyl-1-(3-methylpentan-3-ylamino)hex-3-en-1-ol
CID 146521804

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(pent-4-enylamino)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(pent-4-enylamino)methyl]butan-1-ol (CID 106256302) is 2-ethyl-2-[(pent-4-enylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(pent-4-enylamino)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(pent-4-enylamino)methyl]butan-1-ol is C=CCCCNCC(CC)(CC)CO.
What is the InChIKey of 2-ethyl-2-[(pent-4-enylamino)methyl]butan-1-ol?
The InChIKey is WEZVSHSFELVHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-7-8-9-13-10-12(5-2,6-3)11-14/h4,13-14H,1,5-11H2,2-3H3.
What are the key properties of 2-ethyl-2-[(pent-4-enylamino)methyl]butan-1-ol?
2-ethyl-2-[(pent-4-enylamino)methyl]butan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(pent-4-enylamino)methyl]butan-1-ol is sourced from PubChem (CID 106256302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).