N-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine

C16H18N4 — CID 66206266

IUPACN-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cn(-c2cccc3ccccc23)nn1
InChIInChI=1S/C16H18N4/c1-12(2)17-10-14-11-20(19-18-14)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,11-12,17H,10H2,1-2H3
InChIKeyPZPNXPVQILYZMQ-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.92
Rot. Bonds4

About N-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine

N-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine (PubChem CID 66206266) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine
PubChem CID66206266
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cn(-c2cccc3ccccc23)nn1
InChIInChI=1S/C16H18N4/c1-12(2)17-10-14-11-20(19-18-14)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,11-12,17H,10H2,1-2H3
InChIKeyPZPNXPVQILYZMQ-UHFFFAOYSA-N
XLogP2.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine (CID 66206266) is N-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine is CC(C)NCc1cn(-c2cccc3ccccc23)nn1.
What is the InChIKey of N-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine?
The InChIKey is PZPNXPVQILYZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12(2)17-10-14-11-20(19-18-14)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,11-12,17H,10H2,1-2H3.
What are the key properties of N-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine?
N-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine has a molecular weight of 266.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 66206266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).