N-[(1-cyclopropyltetrazol-5-yl)methyl]hex-5-en-2-amine

C11H19N5 — CID 104583301

IUPACN-[(1-cyclopropyltetrazol-5-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCc1nnnn1C1CC1
InChIInChI=1S/C11H19N5/c1-3-4-5-9(2)12-8-11-13-14-15-16(11)10-6-7-10/h3,9-10,12H,1,4-8H2,2H3
InChIKeyCYQQNBVHZFQGEQ-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.45
Rot. Bonds7

About N-[(1-cyclopropyltetrazol-5-yl)methyl]hex-5-en-2-amine

N-[(1-cyclopropyltetrazol-5-yl)methyl]hex-5-en-2-amine (PubChem CID 104583301) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is N-[(1-cyclopropyltetrazol-5-yl)methyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopropyltetrazol-5-yl)methyl]hex-5-en-2-amine
PubChem CID104583301
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC NameN-[(1-cyclopropyltetrazol-5-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCc1nnnn1C1CC1
InChIInChI=1S/C11H19N5/c1-3-4-5-9(2)12-8-11-13-14-15-16(11)10-6-7-10/h3,9-10,12H,1,4-8H2,2H3
InChIKeyCYQQNBVHZFQGEQ-UHFFFAOYSA-N
XLogP1.45
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1-cyclopropyltetrazol-5-yl)methyl]hex-5-en-2-amine 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-[(1-cyclopropyltetrazol-5-yl)methyl]hex-5-en-2-amine?
The IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]hex-5-en-2-amine (CID 104583301) is N-[(1-cyclopropyltetrazol-5-yl)methyl]hex-5-en-2-amine.
What is the SMILES notation for N-[(1-cyclopropyltetrazol-5-yl)methyl]hex-5-en-2-amine?
The canonical SMILES for N-[(1-cyclopropyltetrazol-5-yl)methyl]hex-5-en-2-amine is C=CCCC(C)NCc1nnnn1C1CC1.
What is the InChIKey of N-[(1-cyclopropyltetrazol-5-yl)methyl]hex-5-en-2-amine?
The InChIKey is CYQQNBVHZFQGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-3-4-5-9(2)12-8-11-13-14-15-16(11)10-6-7-10/h3,9-10,12H,1,4-8H2,2H3.
What are the key properties of N-[(1-cyclopropyltetrazol-5-yl)methyl]hex-5-en-2-amine?
N-[(1-cyclopropyltetrazol-5-yl)methyl]hex-5-en-2-amine has a molecular weight of 221.31 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyltetrazol-5-yl)methyl]hex-5-en-2-amine is sourced from PubChem (CID 104583301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).