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

C10H19N5 — CID 107053618

IUPACN-ethyl-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
SMILESC=CC(C)(CNCC)Cc1nnn(C)n1
InChIInChI=1S/C10H19N5/c1-5-10(3,8-11-6-2)7-9-12-14-15(4)13-9/h5,11H,1,6-8H2,2-4H3
InChIKeyRJETVWZTCQHLQK-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.55
Rot. Bonds6

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

N-ethyl-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine (PubChem CID 107053618) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
PubChem CID107053618
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC NameN-ethyl-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
SMILESC=CC(C)(CNCC)Cc1nnn(C)n1
InChIInChI=1S/C10H19N5/c1-5-10(3,8-11-6-2)7-9-12-14-15(4)13-9/h5,11H,1,6-8H2,2-4H3
InChIKeyRJETVWZTCQHLQK-UHFFFAOYSA-N
XLogP0.55
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine (CID 107053618) is N-ethyl-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine is C=CC(C)(CNCC)Cc1nnn(C)n1.
What is the InChIKey of N-ethyl-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine?
The InChIKey is RJETVWZTCQHLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-5-10(3,8-11-6-2)7-9-12-14-15(4)13-9/h5,11H,1,6-8H2,2-4H3.
What are the key properties of N-ethyl-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine?
N-ethyl-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine has a molecular weight of 209.30 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine is sourced from PubChem (CID 107053618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).