N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine

C15H15N — CID 87606018

IUPACN-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine
SMILESC#CCNCCc1cccc2ccccc12
InChIInChI=1S/C15H15N/c1-2-11-16-12-10-14-8-5-7-13-6-3-4-9-15(13)14/h1,3-9,16H,10-12H2
InChIKeySNPXOOAQEUBKSU-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.61
Rot. Bonds4

About N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine

N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine (PubChem CID 87606018) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine
PubChem CID87606018
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC NameN-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine
SMILESC#CCNCCc1cccc2ccccc12
InChIInChI=1S/C15H15N/c1-2-11-16-12-10-14-8-5-7-13-6-3-4-9-15(13)14/h1,3-9,16H,10-12H2
InChIKeySNPXOOAQEUBKSU-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylphenyl)ethyl]prop-2-yn-1-amine
CID 112722414
(2-naphthalen-1-ylethylamino)methanol
CID 115229403
2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol
CID 115137096
acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine
CID 142942330
1-N-(2-naphthalen-1-ylethyl)pentane-1,4-diamine
CID 115204071
2-methyl-N-(2-naphthalen-1-ylethyl)butane-1,4-diamine
CID 115202803
3-[(2-naphthalen-1-ylethylamino)methyl]cyclobutan-1-amine
CID 115214333
N-[(3-iodophenyl)methyl]-2-naphthalen-1-ylethanamine
CID 68867683
3-(2-naphthalen-1-ylethylamino)propane-1-sulfonic acid
CID 87095275
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
2-[(2-naphthalen-1-ylethylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221686
methanamine;1-propylnaphthalene
CID 174438724

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine?
The IUPAC name of N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine (CID 87606018) is N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine.
What is the SMILES notation for N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine?
The canonical SMILES for N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine is C#CCNCCc1cccc2ccccc12.
What is the InChIKey of N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine?
The InChIKey is SNPXOOAQEUBKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-2-11-16-12-10-14-8-5-7-13-6-3-4-9-15(13)14/h1,3-9,16H,10-12H2.
What are the key properties of N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine?
N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine has a molecular weight of 209.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine is sourced from PubChem (CID 87606018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).