N-[3-(azepan-1-yl)propyl]ethanimine

C11H22N2 — CID 91533828

IUPACN-[3-(azepan-1-yl)propyl]ethanimine
SMILESC/C=N/CCCN1CCCCCC1
InChIInChI=1S/C11H22N2/c1-2-12-8-7-11-13-9-5-3-4-6-10-13/h2H,3-11H2,1H3/b12-2+
InChIKeySAVURSILFHCGKK-SWGQDTFXSA-N
MW182.31 g/mol
LogP2.34
Rot. Bonds4

About N-[3-(azepan-1-yl)propyl]ethanimine

N-[3-(azepan-1-yl)propyl]ethanimine (PubChem CID 91533828) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]ethanimine.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]ethanimine
PubChem CID91533828
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-[3-(azepan-1-yl)propyl]ethanimine
SMILESC/C=N/CCCN1CCCCCC1
InChIInChI=1S/C11H22N2/c1-2-12-8-7-11-13-9-5-3-4-6-10-13/h2H,3-11H2,1H3/b12-2+
InChIKeySAVURSILFHCGKK-SWGQDTFXSA-N
XLogP2.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
1-pentylpiperidine;prop-1-ene
CID 174775307
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
N-methyl-N'-(3-pyrrolidin-1-ylpropyl)methanediimine
CID 142643345
1-(4-thionitrosobutyl)piperidine
CID 89195334
1,1,3,3-tetramethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 100673310
1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
1-ethyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 142139915
1-dodecylazepane
CID 3366129

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]ethanimine?
The IUPAC name of N-[3-(azepan-1-yl)propyl]ethanimine (CID 91533828) is N-[3-(azepan-1-yl)propyl]ethanimine.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]ethanimine?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]ethanimine is C/C=N/CCCN1CCCCCC1.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]ethanimine?
The InChIKey is SAVURSILFHCGKK-SWGQDTFXSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-12-8-7-11-13-9-5-3-4-6-10-13/h2H,3-11H2,1H3/b12-2+.
What are the key properties of N-[3-(azepan-1-yl)propyl]ethanimine?
N-[3-(azepan-1-yl)propyl]ethanimine has a molecular weight of 182.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]ethanimine is sourced from PubChem (CID 91533828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).