N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine

C11H23N5 — CID 103085267

IUPACN-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
SMILESCCCCn1nnnc1C(C)NCC(C)C
InChIInChI=1S/C11H23N5/c1-5-6-7-16-11(13-14-15-16)10(4)12-8-9(2)3/h9-10,12H,5-8H2,1-4H3
InChIKeyYHUKGSTZRBCFOV-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.78
Rot. Bonds7

About N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine

N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine (PubChem CID 103085267) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
PubChem CID103085267
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC NameN-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
SMILESCCCCn1nnnc1C(C)NCC(C)C
InChIInChI=1S/C11H23N5/c1-5-6-7-16-11(13-14-15-16)10(4)12-8-9(2)3/h9-10,12H,5-8H2,1-4H3
InChIKeyYHUKGSTZRBCFOV-UHFFFAOYSA-N
XLogP1.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103086259
1-(1-hexyltetrazol-5-yl)-N-methylethanamine
CID 103086260
N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085674
N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
CID 103085432
1-pentyl-5-propan-2-yltetrazole
CID 69031680
2-methyl-N-[1-[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine
CID 103086517
N-ethyl-1-[1-(3-methylsulfanylpropyl)tetrazol-5-yl]ethanamine
CID 103086230
1-[1-(3-ethoxypropyl)tetrazol-5-yl]-N-ethylethanamine
CID 103085441
N-methyl-1-[1-(7-methyloctyl)tetrazol-5-yl]ethanamine
CID 107818243
5-(1-chloroethyl)-1-hexyltetrazole
CID 103084541
N-[1-(1-tert-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085250
2-methyl-N-[1-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine
CID 103085581

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine (CID 103085267) is N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine is CCCCn1nnnc1C(C)NCC(C)C.
What is the InChIKey of N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine?
The InChIKey is YHUKGSTZRBCFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-5-6-7-16-11(13-14-15-16)10(4)12-8-9(2)3/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine?
N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103085267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).