N-[4-methyl-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine

C11H19N5 — CID 107058749

IUPACN-[4-methyl-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine
SMILESCC(=CCCNC1CC1)Cc1nnn(C)n1
InChIInChI=1S/C11H19N5/c1-9(4-3-7-12-10-5-6-10)8-11-13-15-16(2)14-11/h4,10,12H,3,5-8H2,1-2H3
InChIKeyIIBVXLNCNIEORG-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.84
Rot. Bonds6

About N-[4-methyl-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine

N-[4-methyl-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine (PubChem CID 107058749) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is N-[4-methyl-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-methyl-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine
PubChem CID107058749
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC NameN-[4-methyl-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine
SMILESCC(=CCCNC1CC1)Cc1nnn(C)n1
InChIInChI=1S/C11H19N5/c1-9(4-3-7-12-10-5-6-10)8-11-13-15-16(2)14-11/h4,10,12H,3,5-8H2,1-2H3
InChIKeyIIBVXLNCNIEORG-UHFFFAOYSA-N
XLogP0.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.84
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'}

Analyze N-[4-methyl-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine?
The IUPAC name of N-[4-methyl-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine (CID 107058749) is N-[4-methyl-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[4-methyl-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine?
The canonical SMILES for N-[4-methyl-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine is CC(=CCCNC1CC1)Cc1nnn(C)n1.
What is the InChIKey of N-[4-methyl-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine?
The InChIKey is IIBVXLNCNIEORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-9(4-3-7-12-10-5-6-10)8-11-13-15-16(2)14-11/h4,10,12H,3,5-8H2,1-2H3.
What are the key properties of N-[4-methyl-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine?
N-[4-methyl-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine has a molecular weight of 221.31 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine is sourced from PubChem (CID 107058749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).