N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine

C9H19N5 — CID 103085432

IUPACN-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1CCC
InChIInChI=1S/C9H19N5/c1-4-6-10-8(3)9-11-12-13-14(9)7-5-2/h8,10H,4-7H2,1-3H3
InChIKeyUGSVTALACFDBBI-UHFFFAOYSA-N
MW197.29 g/mol
LogP1.14
Rot. Bonds6

About N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine

N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine (PubChem CID 103085432) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
PubChem CID103085432
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC NameN-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1CCC
InChIInChI=1S/C9H19N5/c1-4-6-10-8(3)9-11-12-13-14(9)7-5-2/h8,10H,4-7H2,1-3H3
InChIKeyUGSVTALACFDBBI-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086194
N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085267
N-[1-[1-[2-(2-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine
CID 103085348
N-[1-[1-(2,3-dimethoxypropyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 114102047
N-[1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086515
N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103086259
1-(1-hexyltetrazol-5-yl)-N-methylethanamine
CID 103086260
1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine
CID 103087021
N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine
CID 103086230
N-[1-[1-(1-methylcyclobutyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086936
1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine
CID 103085441
1-(1-ethyltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085409

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine (CID 103085432) is N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine is CCCNC(C)c1nnnn1CCC.
What is the InChIKey of N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is UGSVTALACFDBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-4-6-10-8(3)9-11-12-13-14(9)7-5-2/h8,10H,4-7H2,1-3H3.
What are the key properties of N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine?
N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 197.29 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103085432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).