2-methyl-N-(naphthalen-1-ylmethyl)but-3-yn-2-amine

C16H17N — CID 63997059

IUPAC2-methyl-N-(naphthalen-1-ylmethyl)but-3-yn-2-amine
SMILESC#CC(C)(C)NCc1cccc2ccccc12
InChIInChI=1S/C16H17N/c1-4-16(2,3)17-12-14-10-7-9-13-8-5-6-11-15(13)14/h1,5-11,17H,12H2,2-3H3
InChIKeyCODBYLWIPXGWTJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.34
Rot. Bonds3

About 2-methyl-N-(naphthalen-1-ylmethyl)but-3-yn-2-amine

2-methyl-N-(naphthalen-1-ylmethyl)but-3-yn-2-amine (PubChem CID 63997059) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-N-(naphthalen-1-ylmethyl)but-3-yn-2-amine.

Molecular Properties

Compound Name2-methyl-N-(naphthalen-1-ylmethyl)but-3-yn-2-amine
PubChem CID63997059
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-methyl-N-(naphthalen-1-ylmethyl)but-3-yn-2-amine
SMILESC#CC(C)(C)NCc1cccc2ccccc12
InChIInChI=1S/C16H17N/c1-4-16(2,3)17-12-14-10-7-9-13-8-5-6-11-15(13)14/h1,5-11,17H,12H2,2-3H3
InChIKeyCODBYLWIPXGWTJ-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.34
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

N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
3-(chloromethyl)-N-(naphthalen-1-ylmethyl)pentan-3-amine
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3-[(2-methylbut-3-yn-2-ylamino)methyl]-1H-quinolin-2-one
CID 63999144
2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28524236
3-methyl-3-(naphthalen-1-ylmethylamino)pentan-1-ol
CID 103774843
3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28543484
N-(naphthalen-1-ylmethyl)thiohydroxylamine
CID 130243841
2-(tert-butylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 47185263
2,2-dimethyl-6-(naphthalen-1-ylmethylamino)hexanenitrile
CID 106709273
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N-(naphthalen-1-ylmethyl)but-2-yn-1-amine
CID 62369584
3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide
CID 62369453

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(naphthalen-1-ylmethyl)but-3-yn-2-amine?
The IUPAC name of 2-methyl-N-(naphthalen-1-ylmethyl)but-3-yn-2-amine (CID 63997059) is 2-methyl-N-(naphthalen-1-ylmethyl)but-3-yn-2-amine.
What is the SMILES notation for 2-methyl-N-(naphthalen-1-ylmethyl)but-3-yn-2-amine?
The canonical SMILES for 2-methyl-N-(naphthalen-1-ylmethyl)but-3-yn-2-amine is C#CC(C)(C)NCc1cccc2ccccc12.
What is the InChIKey of 2-methyl-N-(naphthalen-1-ylmethyl)but-3-yn-2-amine?
The InChIKey is CODBYLWIPXGWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-4-16(2,3)17-12-14-10-7-9-13-8-5-6-11-15(13)14/h1,5-11,17H,12H2,2-3H3.
What are the key properties of 2-methyl-N-(naphthalen-1-ylmethyl)but-3-yn-2-amine?
2-methyl-N-(naphthalen-1-ylmethyl)but-3-yn-2-amine has a molecular weight of 223.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(naphthalen-1-ylmethyl)but-3-yn-2-amine is sourced from PubChem (CID 63997059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).