N-[cyclononylidene-(methylideneamino)methyl]propan-1-imine

C14H24N2 — CID 90850042

IUPACN-[cyclononylidene-(methylideneamino)methyl]propan-1-imine
SMILESC=NC(N=CCC)=C1CCCCCCCC1
InChIInChI=1S/C14H24N2/c1-3-12-16-14(15-2)13-10-8-6-4-5-7-9-11-13/h12H,2-11H2,1H3
InChIKeyUWWCALZWICPQCH-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.51
Rot. Bonds3

About N-[cyclononylidene-(methylideneamino)methyl]propan-1-imine

N-[cyclononylidene-(methylideneamino)methyl]propan-1-imine (PubChem CID 90850042) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[cyclononylidene-(methylideneamino)methyl]propan-1-imine.

Molecular Properties

Compound NameN-[cyclononylidene-(methylideneamino)methyl]propan-1-imine
PubChem CID90850042
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[cyclononylidene-(methylideneamino)methyl]propan-1-imine
SMILESC=NC(N=CCC)=C1CCCCCCCC1
InChIInChI=1S/C14H24N2/c1-3-12-16-14(15-2)13-10-8-6-4-5-7-9-11-13/h12H,2-11H2,1H3
InChIKeyUWWCALZWICPQCH-UHFFFAOYSA-N
XLogP4.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[cyclononylidene-(methylideneamino)methyl]propan-1-imine?
The IUPAC name of N-[cyclononylidene-(methylideneamino)methyl]propan-1-imine (CID 90850042) is N-[cyclononylidene-(methylideneamino)methyl]propan-1-imine.
What is the SMILES notation for N-[cyclononylidene-(methylideneamino)methyl]propan-1-imine?
The canonical SMILES for N-[cyclononylidene-(methylideneamino)methyl]propan-1-imine is C=NC(N=CCC)=C1CCCCCCCC1.
What is the InChIKey of N-[cyclononylidene-(methylideneamino)methyl]propan-1-imine?
The InChIKey is UWWCALZWICPQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-12-16-14(15-2)13-10-8-6-4-5-7-9-11-13/h12H,2-11H2,1H3.
What are the key properties of N-[cyclononylidene-(methylideneamino)methyl]propan-1-imine?
N-[cyclononylidene-(methylideneamino)methyl]propan-1-imine has a molecular weight of 220.36 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclononylidene-(methylideneamino)methyl]propan-1-imine is sourced from PubChem (CID 90850042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).