1-[3-(dimethylamino)prop-1-en-2-yl]cyclododecan-1-ol

C17H33NO — CID 163740661

IUPAC1-[3-(dimethylamino)prop-1-en-2-yl]cyclododecan-1-ol
SMILESC=C(CN(C)C)C1(O)CCCCCCCCCCC1
InChIInChI=1S/C17H33NO/c1-16(15-18(2)3)17(19)13-11-9-7-5-4-6-8-10-12-14-17/h19H,1,4-15H2,2-3H3
InChIKeyLHLFPLUEHNEIOJ-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds3

About 1-[3-(dimethylamino)prop-1-en-2-yl]cyclododecan-1-ol

1-[3-(dimethylamino)prop-1-en-2-yl]cyclododecan-1-ol (PubChem CID 163740661) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[3-(dimethylamino)prop-1-en-2-yl]cyclododecan-1-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)prop-1-en-2-yl]cyclododecan-1-ol
PubChem CID163740661
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[3-(dimethylamino)prop-1-en-2-yl]cyclododecan-1-ol
SMILESC=C(CN(C)C)C1(O)CCCCCCCCCCC1
InChIInChI=1S/C17H33NO/c1-16(15-18(2)3)17(19)13-11-9-7-5-4-6-8-10-12-14-17/h19H,1,4-15H2,2-3H3
InChIKeyLHLFPLUEHNEIOJ-UHFFFAOYSA-N
XLogP4.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(dimethylamino)methyl]cycloheptan-1-ol
CID 104550048
1-(4-hydroxybut-1-en-2-yl)cyclobutan-1-ol
CID 102365736
1-(5,5-dimethoxypent-1-en-2-yl)cyclopentan-1-ol
CID 131874311
2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate
CID 3046844
trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane-1,2-diol
CID 67717737
cerium;1-methylcyclohexan-1-ol
CID 146687678
1-[3-(dimethylamino)prop-1-ynyl]cyclododecan-1-ol
CID 125470003
1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine
CID 79185474
2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699817
1-buta-1,3-dien-2-ylcyclopentan-1-ol
CID 549059
1-[3-(dimethylamino)propyl]cyclopentan-1-ol
CID 115073760
1-[[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]methyl]cyclopentan-1-ol
CID 103071409

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)prop-1-en-2-yl]cyclododecan-1-ol?
The IUPAC name of 1-[3-(dimethylamino)prop-1-en-2-yl]cyclododecan-1-ol (CID 163740661) is 1-[3-(dimethylamino)prop-1-en-2-yl]cyclododecan-1-ol.
What is the SMILES notation for 1-[3-(dimethylamino)prop-1-en-2-yl]cyclododecan-1-ol?
The canonical SMILES for 1-[3-(dimethylamino)prop-1-en-2-yl]cyclododecan-1-ol is C=C(CN(C)C)C1(O)CCCCCCCCCCC1.
What is the InChIKey of 1-[3-(dimethylamino)prop-1-en-2-yl]cyclododecan-1-ol?
The InChIKey is LHLFPLUEHNEIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-16(15-18(2)3)17(19)13-11-9-7-5-4-6-8-10-12-14-17/h19H,1,4-15H2,2-3H3.
What are the key properties of 1-[3-(dimethylamino)prop-1-en-2-yl]cyclododecan-1-ol?
1-[3-(dimethylamino)prop-1-en-2-yl]cyclododecan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)prop-1-en-2-yl]cyclododecan-1-ol is sourced from PubChem (CID 163740661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).