N-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide

C10H20N6O — CID 107042666

IUPACN-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide
SMILESCC(C)CNC(=O)CCNCc1nnn(C)n1
InChIInChI=1S/C10H20N6O/c1-8(2)6-12-10(17)4-5-11-7-9-13-15-16(3)14-9/h8,11H,4-7H2,1-3H3,(H,12,17)
InChIKeyQFMCAPHLXSCSNT-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.54
Rot. Bonds7

About N-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide

N-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide (PubChem CID 107042666) has the molecular formula C10H20N6O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide
PubChem CID107042666
Molecular FormulaC10H20N6O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC NameN-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide
SMILESCC(C)CNC(=O)CCNCc1nnn(C)n1
InChIInChI=1S/C10H20N6O/c1-8(2)6-12-10(17)4-5-11-7-9-13-15-16(3)14-9/h8,11H,4-7H2,1-3H3,(H,12,17)
InChIKeyQFMCAPHLXSCSNT-UHFFFAOYSA-N
XLogP-0.54
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[(2-methyltetrazol-5-yl)methylamino]propanamide
CID 107042317
1-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine
CID 120603258
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide
CID 103571643
4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107042235
2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042638
2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042740
N-[2-[(2-methyltetrazol-5-yl)methylamino]ethyl]methanesulfonamide
CID 107042158
N-(2-methylpropyl)-3-(2-methylpropylcarbamothioylamino)propanamide
CID 116510044
N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide
CID 109011984
4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864
3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide
CID 107899226

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide?
The IUPAC name of N-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide (CID 107042666) is N-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide?
The canonical SMILES for N-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide is CC(C)CNC(=O)CCNCc1nnn(C)n1.
What is the InChIKey of N-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide?
The InChIKey is QFMCAPHLXSCSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O/c1-8(2)6-12-10(17)4-5-11-7-9-13-15-16(3)14-9/h8,11H,4-7H2,1-3H3,(H,12,17).
What are the key properties of N-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide?
N-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide has a molecular weight of 240.31 g/mol, XLogP of -0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-[(2-methyltetrazol-5-yl)methylamino]propanamide is sourced from PubChem (CID 107042666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).