1-[3-(dimethylamino)prop-1-ynyl]cyclododecan-1-ol

C17H31NO — CID 125470003

IUPAC1-[3-(dimethylamino)prop-1-ynyl]cyclododecan-1-ol
SMILESCN(C)CC#CC1(O)CCCCCCCCCCC1
InChIInChI=1S/C17H31NO/c1-18(2)16-12-15-17(19)13-10-8-6-4-3-5-7-9-11-14-17/h19H,3-11,13-14,16H2,1-2H3
InChIKeyMGYDKKRDPUUGGU-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.59
Rot. Bonds1

About 1-[3-(dimethylamino)prop-1-ynyl]cyclododecan-1-ol

1-[3-(dimethylamino)prop-1-ynyl]cyclododecan-1-ol (PubChem CID 125470003) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[3-(dimethylamino)prop-1-ynyl]cyclododecan-1-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)prop-1-ynyl]cyclododecan-1-ol
PubChem CID125470003
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-[3-(dimethylamino)prop-1-ynyl]cyclododecan-1-ol
SMILESCN(C)CC#CC1(O)CCCCCCCCCCC1
InChIInChI=1S/C17H31NO/c1-18(2)16-12-15-17(19)13-10-8-6-4-3-5-7-9-11-14-17/h19H,3-11,13-14,16H2,1-2H3
InChIKeyMGYDKKRDPUUGGU-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(dimethylamino)prop-1-ynyl]cyclododecan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-methylpiperazine-1,4-diium-1-yl)prop-1-ynyl]cyclohexan-1-ol
CID 6942636
1-(3-propoxyprop-1-ynyl)cyclohexan-1-ol
CID 134884657
1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol
CID 780741
N-[3-(1-hydroxycyclobutyl)prop-2-ynyl]-N,4-dimethylbenzenesulfonamide
CID 102327104
3-(1-hydroxycyclopentyl)prop-2-ynyl acetate
CID 102086962
1-[(dimethylamino)methyl]cycloheptan-1-ol
CID 104550048
tert-butyl 4-(1-hydroxycyclopentyl)but-3-ynoate
CID 102086964
gold;1-tetradeca-1,3-diynylcyclohexan-1-ol
CID 87675243
1-buta-1,3-diynylcyclohexan-1-ol
CID 12590159
1,5-bis(1-hydroxycyclohexyl)penta-1,4-diyn-3-one
CID 10989453
1-[3-(4-methylphenoxy)prop-1-ynyl]cyclopentan-1-ol
CID 45098115
1-(5-phenylpent-1-ynyl)cyclohexan-1-ol
CID 24938297

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)prop-1-ynyl]cyclododecan-1-ol?
The IUPAC name of 1-[3-(dimethylamino)prop-1-ynyl]cyclododecan-1-ol (CID 125470003) is 1-[3-(dimethylamino)prop-1-ynyl]cyclododecan-1-ol.
What is the SMILES notation for 1-[3-(dimethylamino)prop-1-ynyl]cyclododecan-1-ol?
The canonical SMILES for 1-[3-(dimethylamino)prop-1-ynyl]cyclododecan-1-ol is CN(C)CC#CC1(O)CCCCCCCCCCC1.
What is the InChIKey of 1-[3-(dimethylamino)prop-1-ynyl]cyclododecan-1-ol?
The InChIKey is MGYDKKRDPUUGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-18(2)16-12-15-17(19)13-10-8-6-4-3-5-7-9-11-14-17/h19H,3-11,13-14,16H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)prop-1-ynyl]cyclododecan-1-ol?
1-[3-(dimethylamino)prop-1-ynyl]cyclododecan-1-ol has a molecular weight of 265.44 g/mol, XLogP of 3.59, 1 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-ynyl]cyclododecan-1-ol is sourced from PubChem (CID 125470003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).