N-pentyl-N,N'-bis(prop-2-enyl)methanimidamide

C12H22N2 — CID 88808300

IUPACN-pentyl-N,N'-bis(prop-2-enyl)methanimidamide
SMILESC=CC/N=C/N(CC=C)CCCCC
InChIInChI=1S/C12H22N2/c1-4-7-8-11-14(10-6-3)12-13-9-5-2/h5-6,12H,2-4,7-11H2,1H3/b13-12+
InChIKeyYDSPPLDZKVUKLI-OUKQBFOZSA-N
MW194.32 g/mol
LogP2.88
Rot. Bonds9

About N-pentyl-N,N'-bis(prop-2-enyl)methanimidamide

N-pentyl-N,N'-bis(prop-2-enyl)methanimidamide (PubChem CID 88808300) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-pentyl-N,N'-bis(prop-2-enyl)methanimidamide.

Molecular Properties

Compound NameN-pentyl-N,N'-bis(prop-2-enyl)methanimidamide
PubChem CID88808300
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-pentyl-N,N'-bis(prop-2-enyl)methanimidamide
SMILESC=CC/N=C/N(CC=C)CCCCC
InChIInChI=1S/C12H22N2/c1-4-7-8-11-14(10-6-3)12-13-9-5-2/h5-6,12H,2-4,7-11H2,1H3/b13-12+
InChIKeyYDSPPLDZKVUKLI-OUKQBFOZSA-N
XLogP2.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-N,N'-bis(prop-2-enyl)methanimidamide?
The IUPAC name of N-pentyl-N,N'-bis(prop-2-enyl)methanimidamide (CID 88808300) is N-pentyl-N,N'-bis(prop-2-enyl)methanimidamide.
What is the SMILES notation for N-pentyl-N,N'-bis(prop-2-enyl)methanimidamide?
The canonical SMILES for N-pentyl-N,N'-bis(prop-2-enyl)methanimidamide is C=CC/N=C/N(CC=C)CCCCC.
What is the InChIKey of N-pentyl-N,N'-bis(prop-2-enyl)methanimidamide?
The InChIKey is YDSPPLDZKVUKLI-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-7-8-11-14(10-6-3)12-13-9-5-2/h5-6,12H,2-4,7-11H2,1H3/b13-12+.
What are the key properties of N-pentyl-N,N'-bis(prop-2-enyl)methanimidamide?
N-pentyl-N,N'-bis(prop-2-enyl)methanimidamide has a molecular weight of 194.32 g/mol, XLogP of 2.88, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-N,N'-bis(prop-2-enyl)methanimidamide is sourced from PubChem (CID 88808300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).