(Z)-N,4-dimethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine

C9H17N5 — CID 107058736

IUPAC(Z)-N,4-dimethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
SMILESCNCC/C=C(/C)Cc1nnn(C)n1
InChIInChI=1S/C9H17N5/c1-8(5-4-6-10-2)7-9-11-13-14(3)12-9/h5,10H,4,6-7H2,1-3H3/b8-5-
InChIKeyLUMHBPUNWIZJJA-YVMONPNESA-N
MW195.27 g/mol
LogP0.31
Rot. Bonds5

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

(Z)-N,4-dimethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine (PubChem CID 107058736) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is (Z)-N,4-dimethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N,4-dimethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
PubChem CID107058736
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name(Z)-N,4-dimethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
SMILESCNCC/C=C(/C)Cc1nnn(C)n1
InChIInChI=1S/C9H17N5/c1-8(5-4-6-10-2)7-9-11-13-14(3)12-9/h5,10H,4,6-7H2,1-3H3/b8-5-
InChIKeyLUMHBPUNWIZJJA-YVMONPNESA-N
XLogP0.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.31
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)-N,4-dimethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The IUPAC name of (Z)-N,4-dimethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine (CID 107058736) is (Z)-N,4-dimethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-N,4-dimethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The canonical SMILES for (Z)-N,4-dimethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine is CNCC/C=C(/C)Cc1nnn(C)n1.
What is the InChIKey of (Z)-N,4-dimethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
The InChIKey is LUMHBPUNWIZJJA-YVMONPNESA-N. The full InChI is InChI=1S/C9H17N5/c1-8(5-4-6-10-2)7-9-11-13-14(3)12-9/h5,10H,4,6-7H2,1-3H3/b8-5-.
What are the key properties of (Z)-N,4-dimethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine?
(Z)-N,4-dimethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine has a molecular weight of 195.27 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,4-dimethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine is sourced from PubChem (CID 107058736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).