N-[(1-methyltetrazol-5-yl)methyl]butan-2-amine

C7H15N5 — CID 161464390

IUPACN-[(1-methyltetrazol-5-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1nnnn1C
InChIInChI=1S/C7H15N5/c1-4-6(2)8-5-7-9-10-11-12(7)3/h6,8H,4-5H2,1-3H3
InChIKeyMLKBYSCSOPJVIH-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.10
Rot. Bonds4

About N-[(1-methyltetrazol-5-yl)methyl]butan-2-amine

N-[(1-methyltetrazol-5-yl)methyl]butan-2-amine (PubChem CID 161464390) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is N-[(1-methyltetrazol-5-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(1-methyltetrazol-5-yl)methyl]butan-2-amine
PubChem CID161464390
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC NameN-[(1-methyltetrazol-5-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1nnnn1C
InChIInChI=1S/C7H15N5/c1-4-6(2)8-5-7-9-10-11-12(7)3/h6,8H,4-5H2,1-3H3
InChIKeyMLKBYSCSOPJVIH-UHFFFAOYSA-N
XLogP0.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide
CID 110870993
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 62694664
1-methyl-5-(5-methylheptyl)tetrazole
CID 129015394
N-[(1-methyltetrazol-5-yl)methyl]prop-2-yn-1-amine
CID 130723785
3,3-dimethyl-1-(1-methyltetrazol-5-yl)-N-propylbutan-2-amine
CID 63202382
N-[(1-phenyltetrazol-5-yl)methyl]pentan-2-amine
CID 60672263
(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64619826
N-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737236
1-methyl-5-(methylsulfanylmethyl)tetrazole
CID 18985597
5-(2-chloroethyl)-1-methyltetrazole
CID 12595134
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine
CID 43111973

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltetrazol-5-yl)methyl]butan-2-amine?
The IUPAC name of N-[(1-methyltetrazol-5-yl)methyl]butan-2-amine (CID 161464390) is N-[(1-methyltetrazol-5-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(1-methyltetrazol-5-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(1-methyltetrazol-5-yl)methyl]butan-2-amine is CCC(C)NCc1nnnn1C.
What is the InChIKey of N-[(1-methyltetrazol-5-yl)methyl]butan-2-amine?
The InChIKey is MLKBYSCSOPJVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-4-6(2)8-5-7-9-10-11-12(7)3/h6,8H,4-5H2,1-3H3.
What are the key properties of N-[(1-methyltetrazol-5-yl)methyl]butan-2-amine?
N-[(1-methyltetrazol-5-yl)methyl]butan-2-amine has a molecular weight of 169.23 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltetrazol-5-yl)methyl]butan-2-amine is sourced from PubChem (CID 161464390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).