1-(3-methylidenehexylamino)dodecan-2-ol

C19H39NO — CID 176555523

IUPAC1-(3-methylidenehexylamino)dodecan-2-ol
SMILESC=C(CCC)CCNCC(O)CCCCCCCCCC
InChIInChI=1S/C19H39NO/c1-4-6-7-8-9-10-11-12-14-19(21)17-20-16-15-18(3)13-5-2/h19-21H,3-17H2,1-2H3
InChIKeyWOEQNKXIIAXOIH-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.21
Rot. Bonds16

About 1-(3-methylidenehexylamino)dodecan-2-ol

1-(3-methylidenehexylamino)dodecan-2-ol (PubChem CID 176555523) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 1-(3-methylidenehexylamino)dodecan-2-ol.

Molecular Properties

Compound Name1-(3-methylidenehexylamino)dodecan-2-ol
PubChem CID176555523
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name1-(3-methylidenehexylamino)dodecan-2-ol
SMILESC=C(CCC)CCNCC(O)CCCCCCCCCC
InChIInChI=1S/C19H39NO/c1-4-6-7-8-9-10-11-12-14-19(21)17-20-16-15-18(3)13-5-2/h19-21H,3-17H2,1-2H3
InChIKeyWOEQNKXIIAXOIH-UHFFFAOYSA-N
XLogP5.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.21
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

1-(2-Hydroxydodecylamino)tetradec-3-en-1-ol
CID 57036963
(Z)-1-(2-hydroxyethylamino)icos-11-en-2-ol
CID 88103884
(7R)-18-(2-hydroxyethylamino)octadec-9-en-7-ol
CID 91075756
2-[(17-Amino-16,18-dihydroxyoctadecan-6-yl)amino]-14-methylideneicosane-1,3-diol
CID 91140362
1-[(4-Hydroxy-5-methylhex-5-en-3-yl)amino]octadecan-1-ol
CID 91342522
4-Methylidene-2-(1,4,8,11-tetrazacyclotetradec-1-yl)undecan-1-ol
CID 138700581
4-Methylidene-1-(1,4,8,11-tetrazacyclotetradec-1-yl)undecan-2-ol
CID 138700620
4-Methylidene-1-(1,4,8,12-tetrazacyclopentadec-1-yl)undecan-2-ol
CID 138700667
(Z)-1-(methylamino)icos-11-en-2-ol
CID 140697791
2-(Nonadecan-3-ylamino)hexadec-1-en-3-ol
CID 143093240
1-[3-[Bis[3-(2-hydroxydodecylamino)propyl]amino]propyl-[3-(2-hydroxydodecylamino)propyl]amino]-4-methylidenehexadecan-6-ol
CID 144094007
2-(8-Heptadecan-9-yloxynon-8-enylamino)ethanol
CID 145405651

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylidenehexylamino)dodecan-2-ol?
The IUPAC name of 1-(3-methylidenehexylamino)dodecan-2-ol (CID 176555523) is 1-(3-methylidenehexylamino)dodecan-2-ol.
What is the SMILES notation for 1-(3-methylidenehexylamino)dodecan-2-ol?
The canonical SMILES for 1-(3-methylidenehexylamino)dodecan-2-ol is C=C(CCC)CCNCC(O)CCCCCCCCCC.
What is the InChIKey of 1-(3-methylidenehexylamino)dodecan-2-ol?
The InChIKey is WOEQNKXIIAXOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-4-6-7-8-9-10-11-12-14-19(21)17-20-16-15-18(3)13-5-2/h19-21H,3-17H2,1-2H3.
What are the key properties of 1-(3-methylidenehexylamino)dodecan-2-ol?
1-(3-methylidenehexylamino)dodecan-2-ol has a molecular weight of 297.53 g/mol, XLogP of 5.21, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylidenehexylamino)dodecan-2-ol is sourced from PubChem (CID 176555523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).