1-butyl-N-[(2-methoxynaphthalen-1-yl)methyl]tetrazol-5-amine

C17H21N5O — CID 4725803

IUPAC1-butyl-N-[(2-methoxynaphthalen-1-yl)methyl]tetrazol-5-amine
SMILESCCCCn1nnnc1NCc1c(OC)ccc2ccccc12
InChIInChI=1S/C17H21N5O/c1-3-4-11-22-17(19-20-21-22)18-12-15-14-8-6-5-7-13(14)9-10-16(15)23-2/h5-10H,3-4,11-12H2,1-2H3,(H,18,19,21)
InChIKeyMOMLPPPKTGWCHO-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.25
Rot. Bonds7

About 1-butyl-N-[(2-methoxynaphthalen-1-yl)methyl]tetrazol-5-amine

1-butyl-N-[(2-methoxynaphthalen-1-yl)methyl]tetrazol-5-amine (PubChem CID 4725803) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-butyl-N-[(2-methoxynaphthalen-1-yl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-butyl-N-[(2-methoxynaphthalen-1-yl)methyl]tetrazol-5-amine
PubChem CID4725803
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name1-butyl-N-[(2-methoxynaphthalen-1-yl)methyl]tetrazol-5-amine
SMILESCCCCn1nnnc1NCc1c(OC)ccc2ccccc12
InChIInChI=1S/C17H21N5O/c1-3-4-11-22-17(19-20-21-22)18-12-15-14-8-6-5-7-13(14)9-10-16(15)23-2/h5-10H,3-4,11-12H2,1-2H3,(H,18,19,21)
InChIKeyMOMLPPPKTGWCHO-UHFFFAOYSA-N
XLogP3.25
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-butyltetrazol-5-amine
CID 66543901
1-butyl-N-naphthalen-1-yltetrazol-5-amine
CID 165418883
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-butyltetrazol-5-amine
CID 4725663
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-propyltetrazol-5-amine
CID 66542960
N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine
CID 63478488
1-(2-methoxynaphthalen-1-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719701
2-[4-[[(1-butyltetrazol-5-yl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4726595
1-butyl-N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]tetrazol-5-amine
CID 4725635
1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine
CID 66538914
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 4727254
N-[[6-bromo-2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 66543501
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-ethyltetrazol-5-amine
CID 66543957

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(2-methoxynaphthalen-1-yl)methyl]tetrazol-5-amine?
The IUPAC name of 1-butyl-N-[(2-methoxynaphthalen-1-yl)methyl]tetrazol-5-amine (CID 4725803) is 1-butyl-N-[(2-methoxynaphthalen-1-yl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-butyl-N-[(2-methoxynaphthalen-1-yl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-butyl-N-[(2-methoxynaphthalen-1-yl)methyl]tetrazol-5-amine is CCCCn1nnnc1NCc1c(OC)ccc2ccccc12.
What is the InChIKey of 1-butyl-N-[(2-methoxynaphthalen-1-yl)methyl]tetrazol-5-amine?
The InChIKey is MOMLPPPKTGWCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-3-4-11-22-17(19-20-21-22)18-12-15-14-8-6-5-7-13(14)9-10-16(15)23-2/h5-10H,3-4,11-12H2,1-2H3,(H,18,19,21).
What are the key properties of 1-butyl-N-[(2-methoxynaphthalen-1-yl)methyl]tetrazol-5-amine?
1-butyl-N-[(2-methoxynaphthalen-1-yl)methyl]tetrazol-5-amine has a molecular weight of 311.39 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(2-methoxynaphthalen-1-yl)methyl]tetrazol-5-amine is sourced from PubChem (CID 4725803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).