2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-N-propylbut-3-en-1-amine

C11H21N5 — CID 107053620

IUPAC2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-N-propylbut-3-en-1-amine
SMILESC=CC(C)(CNCCC)Cc1nnn(C)n1
InChIInChI=1S/C11H21N5/c1-5-7-12-9-11(3,6-2)8-10-13-15-16(4)14-10/h6,12H,2,5,7-9H2,1,3-4H3
InChIKeyKUYUEHUFVCAHOC-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.94
Rot. Bonds7

About 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-N-propylbut-3-en-1-amine

2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-N-propylbut-3-en-1-amine (PubChem CID 107053620) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-N-propylbut-3-en-1-amine
PubChem CID107053620
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-N-propylbut-3-en-1-amine
SMILESC=CC(C)(CNCCC)Cc1nnn(C)n1
InChIInChI=1S/C11H21N5/c1-5-7-12-9-11(3,6-2)8-10-13-15-16(4)14-10/h6,12H,2,5,7-9H2,1,3-4H3
InChIKeyKUYUEHUFVCAHOC-UHFFFAOYSA-N
XLogP0.94
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine
CID 107050924
1-(2-methyltetrazol-5-yl)-N-propylpent-4-en-2-amine
CID 107050928
N-ethyl-2,2-dimethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053097
2,2-dimethyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-1-amine
CID 107053099
2,2-dimethyl-N-(2-methylpropyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053107
2-Methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
CID 107053614
N,2-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
CID 107053616
N-ethyl-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
CID 107053618
2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-N-propan-2-ylbut-3-en-1-amine
CID 107053622
N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine
CID 107053624
N-tert-butyl-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
CID 107053626
2-methyl-N-(2-methylpropyl)-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
CID 107053627

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-N-propylbut-3-en-1-amine?
The IUPAC name of 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-N-propylbut-3-en-1-amine (CID 107053620) is 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-N-propylbut-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-N-propylbut-3-en-1-amine?
The canonical SMILES for 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-N-propylbut-3-en-1-amine is C=CC(C)(CNCCC)Cc1nnn(C)n1.
What is the InChIKey of 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-N-propylbut-3-en-1-amine?
The InChIKey is KUYUEHUFVCAHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-5-7-12-9-11(3,6-2)8-10-13-15-16(4)14-10/h6,12H,2,5,7-9H2,1,3-4H3.
What are the key properties of 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-N-propylbut-3-en-1-amine?
2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-N-propylbut-3-en-1-amine has a molecular weight of 223.32 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-N-propylbut-3-en-1-amine is sourced from PubChem (CID 107053620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).