4,11-diimino-N-methyldodecan-1-amine

C13H27N3 — CID 159770178

IUPAC4,11-diimino-N-methyldodecan-1-amine
SMILES[H]/N=C(/CCCCCC/C(C)=N/[H])CCCNC
InChIInChI=1S/C13H27N3/c1-12(14)8-5-3-4-6-9-13(15)10-7-11-16-2/h14-16H,3-11H2,1-2H3/b14-12+,15-13-
InChIKeyOEMQFXDLGOLRMX-GQJHWZHGSA-N
MW225.38 g/mol
LogP3.39
Rot. Bonds11

About 4,11-diimino-N-methyldodecan-1-amine

4,11-diimino-N-methyldodecan-1-amine (PubChem CID 159770178) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 4,11-diimino-N-methyldodecan-1-amine.

Molecular Properties

Compound Name4,11-diimino-N-methyldodecan-1-amine
PubChem CID159770178
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name4,11-diimino-N-methyldodecan-1-amine
SMILES[H]/N=C(/CCCCCC/C(C)=N/[H])CCCNC
InChIInChI=1S/C13H27N3/c1-12(14)8-5-3-4-6-9-13(15)10-7-11-16-2/h14-16H,3-11H2,1-2H3/b14-12+,15-13-
InChIKeyOEMQFXDLGOLRMX-GQJHWZHGSA-N
XLogP3.39
TPSA59.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.39
H-Bond Donors ≤ 53
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

6-Propyl-2,3,4,5-tetrahydropyridin-1-ium
CID 25203721
7-imino-N-(2,2,2-trifluoroethyl)octan-1-amine
CID 153039694
3,4-diimino-N,N'-dimethylhexane-1,6-diamine
CID 300602
N-methyl-2-methyliminocycloheptan-1-amine
CID 20652986
N-(1-iminopropan-2-yl)dodecan-1-amine
CID 20691677
N,N'-bis(3-aminopropyl)-3,6-diiminooctane-1,8-diamine
CID 22041958
3-Iminopentadecan-1-amine
CID 57014243
N-(3-iminopropyl)dodecan-1-amine
CID 57053351
3-Iminononan-1-amine
CID 57244141
2-[6-Imino-11-(methylamino)undecyl]guanidine
CID 58076497
7,14-diimino-N-methylpentadecan-4-amine
CID 58318983
5-imino-1-N-methylhexane-1,4-diamine
CID 58592142

Frequently Asked Questions

What is the IUPAC name of 4,11-diimino-N-methyldodecan-1-amine?
The IUPAC name of 4,11-diimino-N-methyldodecan-1-amine (CID 159770178) is 4,11-diimino-N-methyldodecan-1-amine.
What is the SMILES notation for 4,11-diimino-N-methyldodecan-1-amine?
The canonical SMILES for 4,11-diimino-N-methyldodecan-1-amine is [H]/N=C(/CCCCCC/C(C)=N/[H])CCCNC.
What is the InChIKey of 4,11-diimino-N-methyldodecan-1-amine?
The InChIKey is OEMQFXDLGOLRMX-GQJHWZHGSA-N. The full InChI is InChI=1S/C13H27N3/c1-12(14)8-5-3-4-6-9-13(15)10-7-11-16-2/h14-16H,3-11H2,1-2H3/b14-12+,15-13-.
What are the key properties of 4,11-diimino-N-methyldodecan-1-amine?
4,11-diimino-N-methyldodecan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.39, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-diimino-N-methyldodecan-1-amine is sourced from PubChem (CID 159770178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).