N-methyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine

C9H17N3 — CID 142643345

IUPACN-methyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine
SMILESCN=C=NCCCN1CCCC1
InChIInChI=1S/C9H17N3/c1-10-9-11-5-4-8-12-6-2-3-7-12/h2-8H2,1H3
InChIKeyVNSDPENRDPMCAF-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.28
Rot. Bonds4

About N-methyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine

N-methyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine (PubChem CID 142643345) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-methyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine.

Molecular Properties

Compound NameN-methyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine
PubChem CID142643345
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-methyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine
SMILESCN=C=NCCCN1CCCC1
InChIInChI=1S/C9H17N3/c1-10-9-11-5-4-8-12-6-2-3-7-12/h2-8H2,1H3
InChIKeyVNSDPENRDPMCAF-UHFFFAOYSA-N
XLogP1.28
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(3-nitrosopropyl)pyrrolidine
CID 142532162
N-[3-(azepan-1-yl)propyl]ethanimine
CID 91533828
ethane;3-pyrrolidin-1-ylpropane-1-thiol
CID 168955695
N,N-dimethyl-3-(3-morpholin-4-ylpropyliminomethylideneamino)propan-1-amine
CID 10923093
1-(3-bromopropyl)pyrrolidine
CID 13034044
1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 100673310
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 62991555
1-butylazetidine;ethane
CID 143628082
ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
CID 145312268
ethane;1-nonylpiperidine
CID 177011009
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine?
The IUPAC name of N-methyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine (CID 142643345) is N-methyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine.
What is the SMILES notation for N-methyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine?
The canonical SMILES for N-methyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine is CN=C=NCCCN1CCCC1.
What is the InChIKey of N-methyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine?
The InChIKey is VNSDPENRDPMCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-10-9-11-5-4-8-12-6-2-3-7-12/h2-8H2,1H3.
What are the key properties of N-methyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine?
N-methyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine has a molecular weight of 167.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine is sourced from PubChem (CID 142643345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).