N-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine

C12H25N5 — CID 107052906

IUPACN-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine
SMILESCCCC(CNC(C)(C)C)Cc1nnn(C)n1
InChIInChI=1S/C12H25N5/c1-6-7-10(9-13-12(2,3)4)8-11-14-16-17(5)15-11/h10,13H,6-9H2,1-5H3
InChIKeyHXRPXYPBQKMVAT-UHFFFAOYSA-N
MW239.37 g/mol
LogP1.56
Rot. Bonds6

About N-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine

N-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine (PubChem CID 107052906) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine
PubChem CID107052906
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC NameN-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine
SMILESCCCC(CNC(C)(C)C)Cc1nnn(C)n1
InChIInChI=1S/C12H25N5/c1-6-7-10(9-13-12(2,3)4)8-11-14-16-17(5)15-11/h10,13H,6-9H2,1-5H3
InChIKeyHXRPXYPBQKMVAT-UHFFFAOYSA-N
XLogP1.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-methyltetrazol-5-yl)methyl]pentyl]cyclopropanamine
CID 107052904
2-methyl-N-[2-(2-methyltetrazol-5-yl)ethyl]propan-2-amine
CID 107049249
2-[(2-methyltetrazol-5-yl)methyl]-N-propylbutan-1-amine
CID 107052925
N-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine
CID 82870831
N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107053527
2-methyl-N-[2-(3-methylphenyl)-3-(2-methyltetrazol-5-yl)propyl]propan-2-amine
CID 107053332
N-ethyl-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107049227
1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol
CID 107057608
2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042740
N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 55195456
1-(2-methyltetrazol-5-yl)-3-propylhexan-2-one
CID 107063530
2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042638

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine?
The IUPAC name of N-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine (CID 107052906) is N-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine is CCCC(CNC(C)(C)C)Cc1nnn(C)n1.
What is the InChIKey of N-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine?
The InChIKey is HXRPXYPBQKMVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5/c1-6-7-10(9-13-12(2,3)4)8-11-14-16-17(5)15-11/h10,13H,6-9H2,1-5H3.
What are the key properties of N-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine?
N-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine has a molecular weight of 239.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-methyltetrazol-5-yl)methyl]pentan-1-amine is sourced from PubChem (CID 107052906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).