2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine

C7H16N6 — CID 107054322

IUPAC2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine
SMILESCC(CN)N(C)Cc1nnn(C)n1
InChIInChI=1S/C7H16N6/c1-6(4-8)12(2)5-7-9-11-13(3)10-7/h6H,4-5,8H2,1-3H3
InChIKeyPURFDWXYYJGHON-UHFFFAOYSA-N
MW184.25 g/mol
LogP-1.01
Rot. Bonds4

About 2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine

2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine (PubChem CID 107054322) has the molecular formula C7H16N6 and a molecular weight of 184.25 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine
PubChem CID107054322
Molecular FormulaC7H16N6
Molecular Weight184.25 g/mol
Exact Mass184.14
IUPAC Name2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine
SMILESCC(CN)N(C)Cc1nnn(C)n1
InChIInChI=1S/C7H16N6/c1-6(4-8)12(2)5-7-9-11-13(3)10-7/h6H,4-5,8H2,1-3H3
InChIKeyPURFDWXYYJGHON-UHFFFAOYSA-N
XLogP-1.01
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107052807
2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]ethanol
CID 107052530
2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine
CID 107043699
N,N-dimethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 910865
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047966
N'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
CID 107041799
(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide
CID 124626246
2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
CID 115741469
1-(aminomethyl)-N-[(2-methyltetrazol-5-yl)methyl]-N-propylcyclopentan-1-amine
CID 107041837
2,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107046659
2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline
CID 107043648
6-(2-methyltetrazol-5-yl)hexan-3-amine
CID 107054841

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine (CID 107054322) is 2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine is CC(CN)N(C)Cc1nnn(C)n1.
What is the InChIKey of 2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine?
The InChIKey is PURFDWXYYJGHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N6/c1-6(4-8)12(2)5-7-9-11-13(3)10-7/h6H,4-5,8H2,1-3H3.
What are the key properties of 2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine?
2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine has a molecular weight of 184.25 g/mol, XLogP of -1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 107054322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).