2-cyclohexyl-5-[methyl(naphthalen-1-ylmethyl)amino]pent-3-yn-2-ol

C23H29NO — CID 19887936

IUPAC2-cyclohexyl-5-[methyl(naphthalen-1-ylmethyl)amino]pent-3-yn-2-ol
SMILESCN(CC#CC(C)(O)C1CCCCC1)Cc1cccc2ccccc12
InChIInChI=1S/C23H29NO/c1-23(25,21-13-4-3-5-14-21)16-9-17-24(2)18-20-12-8-11-19-10-6-7-15-22(19)20/h6-8,10-12,15,21,25H,3-5,13-14,17-18H2,1-2H3
InChIKeyQVXCTBPUBRWNIW-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.61
Rot. Bonds4

About 2-cyclohexyl-5-[methyl(naphthalen-1-ylmethyl)amino]pent-3-yn-2-ol

2-cyclohexyl-5-[methyl(naphthalen-1-ylmethyl)amino]pent-3-yn-2-ol (PubChem CID 19887936) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-cyclohexyl-5-[methyl(naphthalen-1-ylmethyl)amino]pent-3-yn-2-ol.

Molecular Properties

Compound Name2-cyclohexyl-5-[methyl(naphthalen-1-ylmethyl)amino]pent-3-yn-2-ol
PubChem CID19887936
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name2-cyclohexyl-5-[methyl(naphthalen-1-ylmethyl)amino]pent-3-yn-2-ol
SMILESCN(CC#CC(C)(O)C1CCCCC1)Cc1cccc2ccccc12
InChIInChI=1S/C23H29NO/c1-23(25,21-13-4-3-5-14-21)16-9-17-24(2)18-20-12-8-11-19-10-6-7-15-22(19)20/h6-8,10-12,15,21,25H,3-5,13-14,17-18H2,1-2H3
InChIKeyQVXCTBPUBRWNIW-UHFFFAOYSA-N
XLogP4.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 114795042
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CID 75423705
2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 102637268
N,5,5-trimethyl-N-(naphthalen-1-ylmethyl)hept-3-yn-1-amine
CID 10040062
N-cyclopropyl-N'-methyl-N'-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55002950
azane;(E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
CID 87544603
N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine chloride
CID 71296891
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
CID 43458604
N-cyclopentyl-2-(methylamino)-N-(naphthalen-1-ylmethyl)acetamide;hydrochloride
CID 119773893
N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methyl-2-naphthalen-1-ylacetamide
CID 70604955
2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 115240804
N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 134791752

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[methyl(naphthalen-1-ylmethyl)amino]pent-3-yn-2-ol?
The IUPAC name of 2-cyclohexyl-5-[methyl(naphthalen-1-ylmethyl)amino]pent-3-yn-2-ol (CID 19887936) is 2-cyclohexyl-5-[methyl(naphthalen-1-ylmethyl)amino]pent-3-yn-2-ol.
What is the SMILES notation for 2-cyclohexyl-5-[methyl(naphthalen-1-ylmethyl)amino]pent-3-yn-2-ol?
The canonical SMILES for 2-cyclohexyl-5-[methyl(naphthalen-1-ylmethyl)amino]pent-3-yn-2-ol is CN(CC#CC(C)(O)C1CCCCC1)Cc1cccc2ccccc12.
What is the InChIKey of 2-cyclohexyl-5-[methyl(naphthalen-1-ylmethyl)amino]pent-3-yn-2-ol?
The InChIKey is QVXCTBPUBRWNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-23(25,21-13-4-3-5-14-21)16-9-17-24(2)18-20-12-8-11-19-10-6-7-15-22(19)20/h6-8,10-12,15,21,25H,3-5,13-14,17-18H2,1-2H3.
What are the key properties of 2-cyclohexyl-5-[methyl(naphthalen-1-ylmethyl)amino]pent-3-yn-2-ol?
2-cyclohexyl-5-[methyl(naphthalen-1-ylmethyl)amino]pent-3-yn-2-ol has a molecular weight of 335.49 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[methyl(naphthalen-1-ylmethyl)amino]pent-3-yn-2-ol is sourced from PubChem (CID 19887936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).