4-(2-methyltetrazol-5-yl)-N-propylbutan-2-amine

C9H19N5 — CID 107044585

IUPAC4-(2-methyltetrazol-5-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1nnn(C)n1
InChIInChI=1S/C9H19N5/c1-4-7-10-8(2)5-6-9-11-13-14(3)12-9/h8,10H,4-7H2,1-3H3
InChIKeyLDMSUFPGOWUIGJ-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.53
Rot. Bonds6

About 4-(2-methyltetrazol-5-yl)-N-propylbutan-2-amine

4-(2-methyltetrazol-5-yl)-N-propylbutan-2-amine (PubChem CID 107044585) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 4-(2-methyltetrazol-5-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(2-methyltetrazol-5-yl)-N-propylbutan-2-amine
PubChem CID107044585
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name4-(2-methyltetrazol-5-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1nnn(C)n1
InChIInChI=1S/C9H19N5/c1-4-7-10-8(2)5-6-9-11-13-14(3)12-9/h8,10H,4-7H2,1-3H3
InChIKeyLDMSUFPGOWUIGJ-UHFFFAOYSA-N
XLogP0.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,4,4-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107048752
N-ethyl-4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107048754
5,5,5-trifluoro-N-methyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107050237
N-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107050239
5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylpentan-2-amine
CID 107050240
2-[1-Fluoro-2-(2-methyltetrazol-5-yl)ethyl]piperidine
CID 107061573
5-(2-Fluoro-2-pyrrolidin-2-ylethyl)-2-methyltetrazole
CID 107061577
1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
CID 107064717
N-ethyl-1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107064955
N-ethyl-1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107065155
1,1-difluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
CID 107065311
N-[2-fluoro-3-(2-methyltetrazol-5-yl)propyl]-2-methylpropan-2-amine
CID 107446852

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyltetrazol-5-yl)-N-propylbutan-2-amine?
The IUPAC name of 4-(2-methyltetrazol-5-yl)-N-propylbutan-2-amine (CID 107044585) is 4-(2-methyltetrazol-5-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(2-methyltetrazol-5-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(2-methyltetrazol-5-yl)-N-propylbutan-2-amine is CCCNC(C)CCc1nnn(C)n1.
What is the InChIKey of 4-(2-methyltetrazol-5-yl)-N-propylbutan-2-amine?
The InChIKey is LDMSUFPGOWUIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-4-7-10-8(2)5-6-9-11-13-14(3)12-9/h8,10H,4-7H2,1-3H3.
What are the key properties of 4-(2-methyltetrazol-5-yl)-N-propylbutan-2-amine?
4-(2-methyltetrazol-5-yl)-N-propylbutan-2-amine has a molecular weight of 197.29 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyltetrazol-5-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 107044585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).