N',2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine

C7H16N6 — CID 63152171

IUPACN',2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
SMILESCC(CN)CN(C)c1nnnn1C
InChIInChI=1S/C7H16N6/c1-6(4-8)5-12(2)7-9-10-11-13(7)3/h6H,4-5,8H2,1-3H3
InChIKeyVCBHRGNEQNDXLI-UHFFFAOYSA-N
MW184.25 g/mol
LogP-0.76
Rot. Bonds4

About N',2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine

N',2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine (PubChem CID 63152171) has the molecular formula C7H16N6 and a molecular weight of 184.25 g/mol. Its IUPAC name is N',2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
PubChem CID63152171
Molecular FormulaC7H16N6
Molecular Weight184.25 g/mol
Exact Mass184.14
IUPAC NameN',2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
SMILESCC(CN)CN(C)c1nnnn1C
InChIInChI=1S/C7H16N6/c1-6(4-8)5-12(2)7-9-10-11-13(7)3/h6H,4-5,8H2,1-3H3
InChIKeyVCBHRGNEQNDXLI-UHFFFAOYSA-N
XLogP-0.76
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 ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine (CID 63152171) is N',2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine is CC(CN)CN(C)c1nnnn1C.
What is the InChIKey of N',2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
The InChIKey is VCBHRGNEQNDXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N6/c1-6(4-8)5-12(2)7-9-10-11-13(7)3/h6H,4-5,8H2,1-3H3.
What are the key properties of N',2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
N',2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine has a molecular weight of 184.25 g/mol, XLogP of -0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 63152171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).