N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine

C13H20N6 — CID 55090772

IUPACN'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C13H20N6/c1-11(2)14-9-10-18(3)13-15-16-17-19(13)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3
InChIKeyVLNMILDZLJMURV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.10
Rot. Bonds6

About N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine

N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 55090772) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine
PubChem CID55090772
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C13H20N6/c1-11(2)14-9-10-18(3)13-15-16-17-19(13)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3
InChIKeyVLNMILDZLJMURV-UHFFFAOYSA-N
XLogP1.10
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 62333734
1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine
CID 63760949
N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195075
N-(2-chloroethyl)-1-phenyl-N-propyltetrazol-5-amine
CID 55184250
N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195387
2-methyl-3-[methyl-(1-phenyltetrazol-5-yl)amino]propanimidamide
CID 54990530
2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide
CID 9195767
N-methyl-1-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tetrazol-5-amine
CID 56789625
2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 62637944
N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine
CID 63392081
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 131949894
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine (CID 55090772) is N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine is CC(C)NCCN(C)c1nnnn1-c1ccccc1.
What is the InChIKey of N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is VLNMILDZLJMURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-11(2)14-9-10-18(3)13-15-16-17-19(13)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3.
What are the key properties of N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine?
N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 55090772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).