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

C11H19N5 — CID 107053624

IUPACN-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine
SMILESC=CC(C)(CNC1CC1)Cc1nnn(C)n1
InChIInChI=1S/C11H19N5/c1-4-11(2,8-12-9-5-6-9)7-10-13-15-16(3)14-10/h4,9,12H,1,5-8H2,2-3H3
InChIKeyOZIZCEZTXMPEGU-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.70
Rot. Bonds6

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

N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine (PubChem CID 107053624) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine
PubChem CID107053624
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC NameN-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine
SMILESC=CC(C)(CNC1CC1)Cc1nnn(C)n1
InChIInChI=1S/C11H19N5/c1-4-11(2,8-12-9-5-6-9)7-10-13-15-16(3)14-10/h4,9,12H,1,5-8H2,2-3H3
InChIKeyOZIZCEZTXMPEGU-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine (CID 107053624) is N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine is C=CC(C)(CNC1CC1)Cc1nnn(C)n1.
What is the InChIKey of N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine?
The InChIKey is OZIZCEZTXMPEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-4-11(2,8-12-9-5-6-9)7-10-13-15-16(3)14-10/h4,9,12H,1,5-8H2,2-3H3.
What are the key properties of N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine?
N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine has a molecular weight of 221.31 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine is sourced from PubChem (CID 107053624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).