N-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline

C13H19N5O — CID 116500940

IUPACN-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline
SMILESCOCC(C)CNc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C13H19N5O/c1-10(9-19-3)8-14-12-6-4-5-11(7-12)13-15-16-17-18(13)2/h4-7,10,14H,8-9H2,1-3H3
InChIKeyLZJRMSVPKMHMAB-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.57
Rot. Bonds6

About N-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline

N-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline (PubChem CID 116500940) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline
PubChem CID116500940
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline
SMILESCOCC(C)CNc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C13H19N5O/c1-10(9-19-3)8-14-12-6-4-5-11(7-12)13-15-16-17-18(13)2/h4-7,10,14H,8-9H2,1-3H3
InChIKeyLZJRMSVPKMHMAB-UHFFFAOYSA-N
XLogP1.57
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpentyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687104
N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 43687122
N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687184
N'-tert-butyl-N-[3-(1-methyltetrazol-5-yl)phenyl]ethane-1,2-diamine
CID 107444969
1-methyl-5-(3-methylphenyl)tetrazole
CID 23384026
N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 62357094
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
3-iodo-N-(3-methoxy-2-methylpropyl)aniline
CID 116500847
3-(1-methyltetrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 55248719
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 43687182
N-[(4,5-dibromothiophen-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 102832323

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline (CID 116500940) is N-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline is COCC(C)CNc1cccc(-c2nnnn2C)c1.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline?
The InChIKey is LZJRMSVPKMHMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10(9-19-3)8-14-12-6-4-5-11(7-12)13-15-16-17-18(13)2/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of N-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline?
N-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline has a molecular weight of 261.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-3-(1-methyltetrazol-5-yl)aniline is sourced from PubChem (CID 116500940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).