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

C11H23N5 — CID 103085250

IUPACN-[1-(1-tert-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNC(C)c1nnnn1C(C)(C)C
InChIInChI=1S/C11H23N5/c1-8(2)7-12-9(3)10-13-14-15-16(10)11(4,5)6/h8-9,12H,7H2,1-6H3
InChIKeyRFRFVNHRWIGTAL-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.73
Rot. Bonds4

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

N-[1-(1-tert-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine (PubChem CID 103085250) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[1-(1-tert-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(1-tert-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
PubChem CID103085250
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC NameN-[1-(1-tert-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNC(C)c1nnnn1C(C)(C)C
InChIInChI=1S/C11H23N5/c1-8(2)7-12-9(3)10-13-14-15-16(10)11(4,5)6/h8-9,12H,7H2,1-6H3
InChIKeyRFRFVNHRWIGTAL-UHFFFAOYSA-N
XLogP1.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085674
N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085941
N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085267
N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103086259
N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085783
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-methylpiperazine
CID 860703
2-methyl-N-[1-[1-(1-oxothian-4-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086907
2-methyl-N-[1-[1-(2,4,6-trifluorophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086468
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-propylpiperazine
CID 1431560
N-[1-[1-(2-bromophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084884
N-[1-[1-[1-(4-fluorophenyl)ethyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085762
2-methyl-N-[1-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086634

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tert-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-(1-tert-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine (CID 103085250) is N-[1-(1-tert-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(1-tert-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(1-tert-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine is CC(C)CNC(C)c1nnnn1C(C)(C)C.
What is the InChIKey of N-[1-(1-tert-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine?
The InChIKey is RFRFVNHRWIGTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-8(2)7-12-9(3)10-13-14-15-16(10)11(4,5)6/h8-9,12H,7H2,1-6H3.
What are the key properties of N-[1-(1-tert-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine?
N-[1-(1-tert-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tert-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103085250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).