(E,3Z)-1-amino-4-methyl-3-prop-2-enylidenedec-1-en-1-ol

C14H25NO — CID 167250897

IUPAC(E,3Z)-1-amino-4-methyl-3-prop-2-enylidenedec-1-en-1-ol
SMILESC=C/C=C(\C=C(/N)O)C(C)CCCCCC
InChIInChI=1S/C14H25NO/c1-4-6-7-8-10-12(3)13(9-5-2)11-14(15)16/h5,9,11-12,16H,2,4,6-8,10,15H2,1,3H3/b13-9+,14-11+
InChIKeyNETMJORVVARWFT-IJFRVEDASA-N
MW223.36 g/mol
LogP4.06
Rot. Bonds8

About (E,3Z)-1-amino-4-methyl-3-prop-2-enylidenedec-1-en-1-ol

(E,3Z)-1-amino-4-methyl-3-prop-2-enylidenedec-1-en-1-ol (PubChem CID 167250897) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (E,3Z)-1-amino-4-methyl-3-prop-2-enylidenedec-1-en-1-ol.

Molecular Properties

Compound Name(E,3Z)-1-amino-4-methyl-3-prop-2-enylidenedec-1-en-1-ol
PubChem CID167250897
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(E,3Z)-1-amino-4-methyl-3-prop-2-enylidenedec-1-en-1-ol
SMILESC=C/C=C(\C=C(/N)O)C(C)CCCCCC
InChIInChI=1S/C14H25NO/c1-4-6-7-8-10-12(3)13(9-5-2)11-14(15)16/h5,9,11-12,16H,2,4,6-8,10,15H2,1,3H3/b13-9+,14-11+
InChIKeyNETMJORVVARWFT-IJFRVEDASA-N
XLogP4.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z,5Z)-6-methyl-5-prop-2-enylidenedec-3-ene
CID 144893155
(3E)-4-fluoro-6-methyl-5-methylidenedeca-1,3-diene
CID 144599508
(E)-N,3-bis(ethenyl)-4-methyldec-2-en-1-imine
CID 139315408
2-methylicosanethioamide
CID 23451986
(2Z)-N-ethenyl-3-methyl-2-prop-2-enylidenenonanamide
CID 146604814
(3Z,5Z,6R)-5-ethylidene-6-methyldeca-1,3-diene
CID 144579667
heptane;2-methylheptadecanoic acid
CID 175511035
3-methyltridecan-2-one
CID 58341645
3-methyloctadecan-2-one
CID 89177698
3-methylundecan-2-one
CID 12634600
4-methylnon-1-en-3-one
CID 24974485
sodium;hydride;2-methyloctanamide
CID 174470127

Frequently Asked Questions

What is the IUPAC name of (E,3Z)-1-amino-4-methyl-3-prop-2-enylidenedec-1-en-1-ol?
The IUPAC name of (E,3Z)-1-amino-4-methyl-3-prop-2-enylidenedec-1-en-1-ol (CID 167250897) is (E,3Z)-1-amino-4-methyl-3-prop-2-enylidenedec-1-en-1-ol.
What is the SMILES notation for (E,3Z)-1-amino-4-methyl-3-prop-2-enylidenedec-1-en-1-ol?
The canonical SMILES for (E,3Z)-1-amino-4-methyl-3-prop-2-enylidenedec-1-en-1-ol is C=C/C=C(\C=C(/N)O)C(C)CCCCCC.
What is the InChIKey of (E,3Z)-1-amino-4-methyl-3-prop-2-enylidenedec-1-en-1-ol?
The InChIKey is NETMJORVVARWFT-IJFRVEDASA-N. The full InChI is InChI=1S/C14H25NO/c1-4-6-7-8-10-12(3)13(9-5-2)11-14(15)16/h5,9,11-12,16H,2,4,6-8,10,15H2,1,3H3/b13-9+,14-11+.
What are the key properties of (E,3Z)-1-amino-4-methyl-3-prop-2-enylidenedec-1-en-1-ol?
(E,3Z)-1-amino-4-methyl-3-prop-2-enylidenedec-1-en-1-ol has a molecular weight of 223.36 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3Z)-1-amino-4-methyl-3-prop-2-enylidenedec-1-en-1-ol is sourced from PubChem (CID 167250897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).