4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H21N — CID 115725315

IUPAC4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC#CCC(C)NC1CCC(C)c2ccccc21
InChIInChI=1S/C16H21N/c1-4-7-13(3)17-16-11-10-12(2)14-8-5-6-9-15(14)16/h1,5-6,8-9,12-13,16-17H,7,10-11H2,2-3H3
InChIKeyGGGGSTWFNFLOFF-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.63
Rot. Bonds3

About 4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine

4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115725315) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115725315
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC#CCC(C)NC1CCC(C)c2ccccc21
InChIInChI=1S/C16H21N/c1-4-7-13(3)17-16-11-10-12(2)14-8-5-6-9-15(14)16/h1,5-6,8-9,12-13,16-17H,7,10-11H2,2-3H3
InChIKeyGGGGSTWFNFLOFF-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103789078
4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301517
4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418345
4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113305898
N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418412
4-bromo-N-pent-4-yn-2-yl-2,3-dihydro-1H-inden-1-amine
CID 103846488
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418524
4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106023724
4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418329
4-methyl-N-(2-prop-2-ynylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113348664
N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418510
N-[1-(furan-2-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81302193

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115725315) is 4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine is C#CCC(C)NC1CCC(C)c2ccccc21.
What is the InChIKey of 4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is GGGGSTWFNFLOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-4-7-13(3)17-16-11-10-12(2)14-8-5-6-9-15(14)16/h1,5-6,8-9,12-13,16-17H,7,10-11H2,2-3H3.
What are the key properties of 4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 227.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115725315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).