(Z)-4-methyl-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine

C12H23N5 — CID 107058756

IUPAC(Z)-4-methyl-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
SMILESC/C(=C/CCNCC(C)C)Cc1nnn(C)n1
InChIInChI=1S/C12H23N5/c1-10(2)9-13-7-5-6-11(3)8-12-14-16-17(4)15-12/h6,10,13H,5,7-9H2,1-4H3/b11-6-
InChIKeyOWTATNNXNZFULX-WDZFZDKYSA-N
MW237.35 g/mol
LogP1.33
Rot. Bonds7

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

(Z)-4-methyl-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine (PubChem CID 107058756) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is (Z)-4-methyl-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-methyl-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
PubChem CID107058756
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name(Z)-4-methyl-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
SMILESC/C(=C/CCNCC(C)C)Cc1nnn(C)n1
InChIInChI=1S/C12H23N5/c1-10(2)9-13-7-5-6-11(3)8-12-14-16-17(4)15-12/h6,10,13H,5,7-9H2,1-4H3/b11-6-
InChIKeyOWTATNNXNZFULX-WDZFZDKYSA-N
XLogP1.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.33
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 (Z)-4-methyl-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The IUPAC name of (Z)-4-methyl-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine (CID 107058756) is (Z)-4-methyl-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-4-methyl-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The canonical SMILES for (Z)-4-methyl-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine is C/C(=C/CCNCC(C)C)Cc1nnn(C)n1.
What is the InChIKey of (Z)-4-methyl-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The InChIKey is OWTATNNXNZFULX-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H23N5/c1-10(2)9-13-7-5-6-11(3)8-12-14-16-17(4)15-12/h6,10,13H,5,7-9H2,1-4H3/b11-6-.
What are the key properties of (Z)-4-methyl-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
(Z)-4-methyl-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-N-(2-methylpropyl)-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine is sourced from PubChem (CID 107058756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).