2-[(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]pent-4-yn-1-ol

C16H21NO — CID 21470445

IUPAC2-[(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]pent-4-yn-1-ol
SMILESC#CCC(CO)CNc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H21NO/c1-2-5-13(12-18)11-17-16-9-8-14-6-3-4-7-15(14)10-16/h1,8-10,13,17-18H,3-7,11-12H2
InChIKeyIHSPIGAXYZNHIQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.61
Rot. Bonds5

About 2-[(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]pent-4-yn-1-ol

2-[(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]pent-4-yn-1-ol (PubChem CID 21470445) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]pent-4-yn-1-ol.

Molecular Properties

Compound Name2-[(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]pent-4-yn-1-ol
PubChem CID21470445
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-[(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]pent-4-yn-1-ol
SMILESC#CCC(CO)CNc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H21NO/c1-2-5-13(12-18)11-17-16-9-8-14-6-3-4-7-15(14)10-16/h1,8-10,13,17-18H,3-7,11-12H2
InChIKeyIHSPIGAXYZNHIQ-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol
CID 115121860
2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol
CID 115251818
2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115254752
2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115198218
N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115261521
2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 115202278
3-(2,3-dihydro-1H-inden-5-ylamino)-2-methylpropanamide
CID 43312074
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propane-1,3-diol
CID 83931756
N'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 82490968
3-(2,3-dihydro-1H-inden-5-ylamino)-2-(methylamino)propanoic acid
CID 115255887
1-(diethylamino)-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898879
2-(2,3-dihydro-1H-inden-5-ylamino)-1-pyrrolidin-1-ylethanone
CID 28578084

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]pent-4-yn-1-ol?
The IUPAC name of 2-[(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]pent-4-yn-1-ol (CID 21470445) is 2-[(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]pent-4-yn-1-ol.
What is the SMILES notation for 2-[(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]pent-4-yn-1-ol?
The canonical SMILES for 2-[(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]pent-4-yn-1-ol is C#CCC(CO)CNc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]pent-4-yn-1-ol?
The InChIKey is IHSPIGAXYZNHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-5-13(12-18)11-17-16-9-8-14-6-3-4-7-15(14)10-16/h1,8-10,13,17-18H,3-7,11-12H2.
What are the key properties of 2-[(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]pent-4-yn-1-ol?
2-[(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]pent-4-yn-1-ol has a molecular weight of 243.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]pent-4-yn-1-ol is sourced from PubChem (CID 21470445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).