N,N-dimethyl-3-(6-methylnaphthalen-2-yl)-3-(tetrazol-2-yl)propan-1-amine

C17H21N5 — CID 44540516

IUPACN,N-dimethyl-3-(6-methylnaphthalen-2-yl)-3-(tetrazol-2-yl)propan-1-amine
SMILESCc1ccc2cc(C(CCN(C)C)n3ncnn3)ccc2c1
InChIInChI=1S/C17H21N5/c1-13-4-5-15-11-16(7-6-14(15)10-13)17(8-9-21(2)3)22-19-12-18-20-22/h4-7,10-12,17H,8-9H2,1-3H3
InChIKeySWUGBRBZRRPPED-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.68
Rot. Bonds5

About N,N-dimethyl-3-(6-methylnaphthalen-2-yl)-3-(tetrazol-2-yl)propan-1-amine

N,N-dimethyl-3-(6-methylnaphthalen-2-yl)-3-(tetrazol-2-yl)propan-1-amine (PubChem CID 44540516) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N,N-dimethyl-3-(6-methylnaphthalen-2-yl)-3-(tetrazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(6-methylnaphthalen-2-yl)-3-(tetrazol-2-yl)propan-1-amine
PubChem CID44540516
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN,N-dimethyl-3-(6-methylnaphthalen-2-yl)-3-(tetrazol-2-yl)propan-1-amine
SMILESCc1ccc2cc(C(CCN(C)C)n3ncnn3)ccc2c1
InChIInChI=1S/C17H21N5/c1-13-4-5-15-11-16(7-6-14(15)10-13)17(8-9-21(2)3)22-19-12-18-20-22/h4-7,10-12,17H,8-9H2,1-3H3
InChIKeySWUGBRBZRRPPED-UHFFFAOYSA-N
XLogP2.68
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.68
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-(6-methylnaphthalen-2-yl)-3-(tetrazol-2-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(6-methylnaphthalen-2-yl)-3-(tetrazol-2-yl)propan-1-amine (CID 44540516) is N,N-dimethyl-3-(6-methylnaphthalen-2-yl)-3-(tetrazol-2-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(6-methylnaphthalen-2-yl)-3-(tetrazol-2-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(6-methylnaphthalen-2-yl)-3-(tetrazol-2-yl)propan-1-amine is Cc1ccc2cc(C(CCN(C)C)n3ncnn3)ccc2c1.
What is the InChIKey of N,N-dimethyl-3-(6-methylnaphthalen-2-yl)-3-(tetrazol-2-yl)propan-1-amine?
The InChIKey is SWUGBRBZRRPPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-13-4-5-15-11-16(7-6-14(15)10-13)17(8-9-21(2)3)22-19-12-18-20-22/h4-7,10-12,17H,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(6-methylnaphthalen-2-yl)-3-(tetrazol-2-yl)propan-1-amine?
N,N-dimethyl-3-(6-methylnaphthalen-2-yl)-3-(tetrazol-2-yl)propan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 2.68, 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-(6-methylnaphthalen-2-yl)-3-(tetrazol-2-yl)propan-1-amine is sourced from PubChem (CID 44540516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).