N-[1-[1-(2,3-dimethoxypropyl)tetrazol-5-yl]ethyl]propan-1-amine

C11H23N5O2 — CID 114102047

IUPACN-[1-[1-(2,3-dimethoxypropyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1CC(COC)OC
InChIInChI=1S/C11H23N5O2/c1-5-6-12-9(2)11-13-14-15-16(11)7-10(18-4)8-17-3/h9-10,12H,5-8H2,1-4H3
InChIKeyWNBJGZDMAJCWNL-UHFFFAOYSA-N
MW257.34 g/mol
LogP0.40
Rot. Bonds9

About N-[1-[1-(2,3-dimethoxypropyl)tetrazol-5-yl]ethyl]propan-1-amine

N-[1-[1-(2,3-dimethoxypropyl)tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 114102047) has the molecular formula C11H23N5O2 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[1-[1-(2,3-dimethoxypropyl)tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(2,3-dimethoxypropyl)tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID114102047
Molecular FormulaC11H23N5O2
Molecular Weight257.34 g/mol
Exact Mass257.19
IUPAC NameN-[1-[1-(2,3-dimethoxypropyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1CC(COC)OC
InChIInChI=1S/C11H23N5O2/c1-5-6-12-9(2)11-13-14-15-16(11)7-10(18-4)8-17-3/h9-10,12H,5-8H2,1-4H3
InChIKeyWNBJGZDMAJCWNL-UHFFFAOYSA-N
XLogP0.40
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
CID 103085432
1-(1-ethyltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085409
N-ethyl-1-[1-(2-ethylbutyl)tetrazol-5-yl]ethanamine
CID 103087026
N-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086194
N-[1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086515
1-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 103085480
N-(2-methoxyethyl)-1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethanamine
CID 103086514
N-ethyl-1-[1-[2-(2-methylpropoxy)ethyl]tetrazol-5-yl]ethanamine
CID 103087047
1-[1-[2-(5-chlorothiophen-2-yl)ethyl]tetrazol-5-yl]-N-(2-methoxyethyl)ethanamine
CID 106043176
N-(2-methoxyethyl)-1-[1-(3-phenylpropyl)tetrazol-5-yl]ethanamine
CID 103085538
1-(1-hexan-2-yltetrazol-5-yl)-N-(2-methoxyethyl)ethanamine
CID 103085593
N-ethyl-1-[1-(1-methoxy-3-methylbutan-2-yl)tetrazol-5-yl]ethanamine
CID 103086393

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,3-dimethoxypropyl)tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(2,3-dimethoxypropyl)tetrazol-5-yl]ethyl]propan-1-amine (CID 114102047) is N-[1-[1-(2,3-dimethoxypropyl)tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(2,3-dimethoxypropyl)tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(2,3-dimethoxypropyl)tetrazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nnnn1CC(COC)OC.
What is the InChIKey of N-[1-[1-(2,3-dimethoxypropyl)tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is WNBJGZDMAJCWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O2/c1-5-6-12-9(2)11-13-14-15-16(11)7-10(18-4)8-17-3/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-[1-[1-(2,3-dimethoxypropyl)tetrazol-5-yl]ethyl]propan-1-amine?
N-[1-[1-(2,3-dimethoxypropyl)tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 0.40, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,3-dimethoxypropyl)tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 114102047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).