N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine

C14H22N6 — CID 107441751

IUPACN'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCc1ccc(NCC(CN)C(C)C)cc1-n1cnnn1
InChIInChI=1S/C14H22N6/c1-10(2)12(7-15)8-16-13-5-4-11(3)14(6-13)20-9-17-18-19-20/h4-6,9-10,12,16H,7-8,15H2,1-3H3
InChIKeyRTWUFQGUQQUUAR-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.61
Rot. Bonds6

About N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine

N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441751) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441751
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCc1ccc(NCC(CN)C(C)C)cc1-n1cnnn1
InChIInChI=1S/C14H22N6/c1-10(2)12(7-15)8-16-13-5-4-11(3)14(6-13)20-9-17-18-19-20/h4-6,9-10,12,16H,7-8,15H2,1-3H3
InChIKeyRTWUFQGUQQUUAR-UHFFFAOYSA-N
XLogP1.61
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-dimethoxyethyl)-4-methyl-3-(tetrazol-1-yl)aniline
CID 55231877
4-methyl-N-pentyl-3-(tetrazol-1-yl)aniline
CID 43738043
4-methyl-N-(2-phenylethyl)-3-(tetrazol-1-yl)aniline
CID 43738071
2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol
CID 65338038
[4-[[4-methyl-3-(tetrazol-1-yl)anilino]methyl]phenyl]methanol
CID 110006499
3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 62728665
1-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclobutane-1,3-diamine
CID 80560812
4-methyl-3-(tetrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62758879
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 82835839
N-[(5-chlorofuran-2-yl)methyl]-4-methyl-3-(tetrazol-1-yl)aniline
CID 60780934
4-methyl-N-[(1-methylpiperidin-3-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 62659787

Frequently Asked Questions

What is the IUPAC name of N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine (CID 107441751) is N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine is Cc1ccc(NCC(CN)C(C)C)cc1-n1cnnn1.
What is the InChIKey of N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is RTWUFQGUQQUUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-10(2)12(7-15)8-16-13-5-4-11(3)14(6-13)20-9-17-18-19-20/h4-6,9-10,12,16H,7-8,15H2,1-3H3.
What are the key properties of N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 274.37 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).