N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine

C14H17N — CID 63770878

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine
SMILESC#CCNCC1CCCc2ccccc21
InChIInChI=1S/C14H17N/c1-2-10-15-11-13-8-5-7-12-6-3-4-9-14(12)13/h1,3-4,6,9,13,15H,5,7-8,10-11H2
InChIKeyZKPIVKWBUQFRDO-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.33
Rot. Bonds3

About N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine

N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine (PubChem CID 63770878) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine
PubChem CID63770878
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine
SMILESC#CCNCC1CCCc2ccccc21
InChIInChI=1S/C14H17N/c1-2-10-15-11-13-8-5-7-12-6-3-4-9-14(12)13/h1,3-4,6,9,13,15H,5,7-8,10-11H2
InChIKeyZKPIVKWBUQFRDO-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.33
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-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine
CID 114416758
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 114505328
1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
CID 106123359
N-[(2-ethylphenyl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 64681155
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetate
CID 63771406
6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol
CID 107851787
N-[(1-methylpyrrolidin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106025341
N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485
2-methyl-3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 63770721
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 107644679
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)hexan-1-amine
CID 107845672

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine (CID 63770878) is N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine is C#CCNCC1CCCc2ccccc21.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine?
The InChIKey is ZKPIVKWBUQFRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-2-10-15-11-13-8-5-7-12-6-3-4-9-14(12)13/h1,3-4,6,9,13,15H,5,7-8,10-11H2.
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine?
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine has a molecular weight of 199.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine is sourced from PubChem (CID 63770878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).