N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

C12H25N5 — CID 103085674

IUPACN-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNC(C)c1nnnn1CC(C)(C)C
InChIInChI=1S/C12H25N5/c1-9(2)7-13-10(3)11-14-15-16-17(11)8-12(4,5)6/h9-10,13H,7-8H2,1-6H3
InChIKeyAKCWDMJZQAAFJE-UHFFFAOYSA-N
MW239.37 g/mol
LogP2.03
Rot. Bonds5

About N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine (PubChem CID 103085674) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
PubChem CID103085674
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC NameN-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNC(C)c1nnnn1CC(C)(C)C
InChIInChI=1S/C12H25N5/c1-9(2)7-13-10(3)11-14-15-16-17(11)8-12(4,5)6/h9-10,13H,7-8H2,1-6H3
InChIKeyAKCWDMJZQAAFJE-UHFFFAOYSA-N
XLogP2.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085267
N-[1-(1-tert-butyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103085250
N-[1-(1-hexyltetrazol-5-yl)ethyl]-2-methylpropan-1-amine
CID 103086259
1-[1-(3,3-dimethylbutyl)tetrazol-5-yl]-N-ethylethanamine
CID 103087021
2-methyl-N-[1-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine
CID 103085581
N-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085288
N-[1-[1-(2-methyl-2-methylsulfonylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103086515
2-methyl-N-[1-[1-[2-(2-methylphenyl)ethyl]tetrazol-5-yl]ethyl]propan-1-amine
CID 103086517
N-[1-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085946
N-[1-(1-propyltetrazol-5-yl)ethyl]propan-1-amine
CID 103085432
N-[1-[1-(dicyclopropylmethyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085941
N-[1-[1-(1-ethoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103085783

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine (CID 103085674) is N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine is CC(C)CNC(C)c1nnnn1CC(C)(C)C.
What is the InChIKey of N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
The InChIKey is AKCWDMJZQAAFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5/c1-9(2)7-13-10(3)11-14-15-16-17(11)8-12(4,5)6/h9-10,13H,7-8H2,1-6H3.
What are the key properties of N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine?
N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine has a molecular weight of 239.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103085674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).