2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-en-1-amine

C16H23N — CID 117049338

IUPAC2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-en-1-amine
SMILESC=CCC(C)(CN)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23N/c1-3-10-16(2,12-17)15-9-8-13-6-4-5-7-14(13)11-15/h3,8-9,11H,1,4-7,10,12,17H2,2H3
InChIKeyLLTHEBJTFUISND-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.36
Rot. Bonds4

About 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-en-1-amine

2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-en-1-amine (PubChem CID 117049338) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-en-1-amine
PubChem CID117049338
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-en-1-amine
SMILESC=CCC(C)(CN)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23N/c1-3-10-16(2,12-17)15-9-8-13-6-4-5-7-14(13)11-15/h3,8-9,11H,1,4-7,10,12,17H2,2H3
InChIKeyLLTHEBJTFUISND-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-enoic acid
CID 117049182
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,2-diamine
CID 3052971
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758
N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine
CID 115197541
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 116838499
1-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 63411446
2-(2,3-dihydro-1H-inden-5-yl)-2-methoxybutan-1-amine
CID 83837271
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 28917689
ethane;formamide;5-(2-methylpentan-2-yl)-2,3-dihydro-1H-indene
CID 144532564
2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine
CID 117049327
2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-amine
CID 82504394

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-en-1-amine?
The IUPAC name of 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-en-1-amine (CID 117049338) is 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-en-1-amine.
What is the SMILES notation for 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-en-1-amine?
The canonical SMILES for 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-en-1-amine is C=CCC(C)(CN)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-en-1-amine?
The InChIKey is LLTHEBJTFUISND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-10-16(2,12-17)15-9-8-13-6-4-5-7-14(13)11-15/h3,8-9,11H,1,4-7,10,12,17H2,2H3.
What are the key properties of 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-en-1-amine?
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-en-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-4-en-1-amine is sourced from PubChem (CID 117049338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).