N-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine

C12H23N5 — CID 107058752

IUPACN-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)Cc1nnn(C)n1
InChIInChI=1S/C12H23N5/c1-10(7-6-8-13-12(2,3)4)9-11-14-16-17(5)15-11/h7,13H,6,8-9H2,1-5H3
InChIKeyKTKMRGGSLAEBDJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.48
Rot. Bonds5

About N-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine

N-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine (PubChem CID 107058752) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
PubChem CID107058752
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)Cc1nnn(C)n1
InChIInChI=1S/C12H23N5/c1-10(7-6-8-13-12(2,3)4)9-11-14-16-17(5)15-11/h7,13H,6,8-9H2,1-5H3
InChIKeyKTKMRGGSLAEBDJ-UHFFFAOYSA-N
XLogP1.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The IUPAC name of N-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine (CID 107058752) is N-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The canonical SMILES for N-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine is CC(=CCCNC(C)(C)C)Cc1nnn(C)n1.
What is the InChIKey of N-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The InChIKey is KTKMRGGSLAEBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-10(7-6-8-13-12(2,3)4)9-11-14-16-17(5)15-11/h7,13H,6,8-9H2,1-5H3.
What are the key properties of N-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
N-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine is sourced from PubChem (CID 107058752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).