N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine

C13H15N — CID 18331756

IUPACN-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC#CCNC1CCc2ccccc2C1
InChIInChI=1S/C13H15N/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13/h1,3-6,13-14H,7-10H2
InChIKeyRELIUPLDFYVMJL-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.77
Rot. Bonds2

About N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine

N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 18331756) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID18331756
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC NameN-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC#CCNC1CCc2ccccc2C1
InChIInChI=1S/C13H15N/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13/h1,3-6,13-14H,7-10H2
InChIKeyRELIUPLDFYVMJL-UHFFFAOYSA-N
XLogP1.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 18331756) is N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine is C#CCNC1CCc2ccccc2C1.
What is the InChIKey of N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is RELIUPLDFYVMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13/h1,3-6,13-14H,7-10H2.
What are the key properties of N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine?
N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 185.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 18331756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).