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

C11H21N5 — CID 107058742

IUPAC(Z)-4-methyl-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C(/C)Cc1nnn(C)n1
InChIInChI=1S/C11H21N5/c1-4-7-12-8-5-6-10(2)9-11-13-15-16(3)14-11/h6,12H,4-5,7-9H2,1-3H3/b10-6-
InChIKeyPOFOAGOMQYBVHU-POHAHGRESA-N
MW223.32 g/mol
LogP1.09
Rot. Bonds7

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

(Z)-4-methyl-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine (PubChem CID 107058742) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is (Z)-4-methyl-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-methyl-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine
PubChem CID107058742
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name(Z)-4-methyl-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C(/C)Cc1nnn(C)n1
InChIInChI=1S/C11H21N5/c1-4-7-12-8-5-6-10(2)9-11-13-15-16(3)14-11/h6,12H,4-5,7-9H2,1-3H3/b10-6-
InChIKeyPOFOAGOMQYBVHU-POHAHGRESA-N
XLogP1.09
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 ≤ 51.09
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-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine?
The IUPAC name of (Z)-4-methyl-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine (CID 107058742) is (Z)-4-methyl-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for (Z)-4-methyl-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine?
The canonical SMILES for (Z)-4-methyl-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine is CCCNCC/C=C(/C)Cc1nnn(C)n1.
What is the InChIKey of (Z)-4-methyl-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine?
The InChIKey is POFOAGOMQYBVHU-POHAHGRESA-N. The full InChI is InChI=1S/C11H21N5/c1-4-7-12-8-5-6-10(2)9-11-13-15-16(3)14-11/h6,12H,4-5,7-9H2,1-3H3/b10-6-.
What are the key properties of (Z)-4-methyl-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine?
(Z)-4-methyl-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 107058742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).