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

C9H20N6 — CID 63152217

IUPACN'-(2-methylpropyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
SMILESCC(C)CN(CCCN)c1nnnn1C
InChIInChI=1S/C9H20N6/c1-8(2)7-15(6-4-5-10)9-11-12-13-14(9)3/h8H,4-7,10H2,1-3H3
InChIKeyYRNWPJDOSKIWFP-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.02
Rot. Bonds6

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

N'-(2-methylpropyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine (PubChem CID 63152217) has the molecular formula C9H20N6 and a molecular weight of 212.30 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
PubChem CID63152217
Molecular FormulaC9H20N6
Molecular Weight212.30 g/mol
Exact Mass212.17
IUPAC NameN'-(2-methylpropyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
SMILESCC(C)CN(CCCN)c1nnnn1C
InChIInChI=1S/C9H20N6/c1-8(2)7-15(6-4-5-10)9-11-12-13-14(9)3/h8H,4-7,10H2,1-3H3
InChIKeyYRNWPJDOSKIWFP-UHFFFAOYSA-N
XLogP0.02
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-methylpropyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine (CID 63152217) is N'-(2-methylpropyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methylpropyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methylpropyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine is CC(C)CN(CCCN)c1nnnn1C.
What is the InChIKey of N'-(2-methylpropyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
The InChIKey is YRNWPJDOSKIWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N6/c1-8(2)7-15(6-4-5-10)9-11-12-13-14(9)3/h8H,4-7,10H2,1-3H3.
What are the key properties of N'-(2-methylpropyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
N'-(2-methylpropyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine has a molecular weight of 212.30 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 63152217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).