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

C10H17N5 — CID 107058723

IUPACN-[(E)-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine
SMILESCn1nnc(C/C=C/CCNC2CC2)n1
InChIInChI=1S/C10H17N5/c1-15-13-10(12-14-15)5-3-2-4-8-11-9-6-7-9/h2-3,9,11H,4-8H2,1H3/b3-2+
InChIKeyIAPRYBSQEIUFRL-NSCUHMNNSA-N
MW207.28 g/mol
LogP0.45
Rot. Bonds6

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

N-[(E)-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine (PubChem CID 107058723) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[(E)-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(E)-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine
PubChem CID107058723
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC NameN-[(E)-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine
SMILESCn1nnc(C/C=C/CCNC2CC2)n1
InChIInChI=1S/C10H17N5/c1-15-13-10(12-14-15)5-3-2-4-8-11-9-6-7-9/h2-3,9,11H,4-8H2,1H3/b3-2+
InChIKeyIAPRYBSQEIUFRL-NSCUHMNNSA-N
XLogP0.45
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.45
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 N-[(E)-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine?
The IUPAC name of N-[(E)-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine (CID 107058723) is N-[(E)-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[(E)-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine?
The canonical SMILES for N-[(E)-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine is Cn1nnc(C/C=C/CCNC2CC2)n1.
What is the InChIKey of N-[(E)-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine?
The InChIKey is IAPRYBSQEIUFRL-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H17N5/c1-15-13-10(12-14-15)5-3-2-4-8-11-9-6-7-9/h2-3,9,11H,4-8H2,1H3/b3-2+.
What are the key properties of N-[(E)-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine?
N-[(E)-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine has a molecular weight of 207.28 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-(2-methyltetrazol-5-yl)pent-3-enyl]cyclopropanamine is sourced from PubChem (CID 107058723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).