N,N-dimethyl-3-naphthalen-2-yl-3-(tetrazol-2-yl)propan-1-amine

C16H19N5 — CID 44540428

IUPACN,N-dimethyl-3-naphthalen-2-yl-3-(tetrazol-2-yl)propan-1-amine
SMILESCN(C)CCC(c1ccc2ccccc2c1)n1ncnn1
InChIInChI=1S/C16H19N5/c1-20(2)10-9-16(21-18-12-17-19-21)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12,16H,9-10H2,1-2H3
InChIKeyWHNHYVQHXLVZHR-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.37
Rot. Bonds5

About N,N-dimethyl-3-naphthalen-2-yl-3-(tetrazol-2-yl)propan-1-amine

N,N-dimethyl-3-naphthalen-2-yl-3-(tetrazol-2-yl)propan-1-amine (PubChem CID 44540428) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N,N-dimethyl-3-naphthalen-2-yl-3-(tetrazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-naphthalen-2-yl-3-(tetrazol-2-yl)propan-1-amine
PubChem CID44540428
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN,N-dimethyl-3-naphthalen-2-yl-3-(tetrazol-2-yl)propan-1-amine
SMILESCN(C)CCC(c1ccc2ccccc2c1)n1ncnn1
InChIInChI=1S/C16H19N5/c1-20(2)10-9-16(21-18-12-17-19-21)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12,16H,9-10H2,1-2H3
InChIKeyWHNHYVQHXLVZHR-UHFFFAOYSA-N
XLogP2.37
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-naphthalen-2-yl-3-(tetrazol-2-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-naphthalen-2-yl-3-(tetrazol-2-yl)propan-1-amine (CID 44540428) is N,N-dimethyl-3-naphthalen-2-yl-3-(tetrazol-2-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-naphthalen-2-yl-3-(tetrazol-2-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-naphthalen-2-yl-3-(tetrazol-2-yl)propan-1-amine is CN(C)CCC(c1ccc2ccccc2c1)n1ncnn1.
What is the InChIKey of N,N-dimethyl-3-naphthalen-2-yl-3-(tetrazol-2-yl)propan-1-amine?
The InChIKey is WHNHYVQHXLVZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-20(2)10-9-16(21-18-12-17-19-21)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12,16H,9-10H2,1-2H3.
What are the key properties of N,N-dimethyl-3-naphthalen-2-yl-3-(tetrazol-2-yl)propan-1-amine?
N,N-dimethyl-3-naphthalen-2-yl-3-(tetrazol-2-yl)propan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-naphthalen-2-yl-3-(tetrazol-2-yl)propan-1-amine is sourced from PubChem (CID 44540428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).