2-[6-imino-11-(methylamino)undecyl]guanidine

C13H29N5 — CID 58076497

IUPAC2-[6-imino-11-(methylamino)undecyl]guanidine
SMILES[H]/N=C(/CCCCCN=C(N)N)CCCCCNC
InChIInChI=1S/C13H29N5/c1-17-10-6-2-4-8-12(14)9-5-3-7-11-18-13(15)16/h14,17H,2-11H2,1H3,(H4,15,16,18)/b14-12+
InChIKeyCEEHPSSPIUVZDB-WYMLVPIESA-N
MW255.41 g/mol
LogP1.62
Rot. Bonds12

About 2-[6-imino-11-(methylamino)undecyl]guanidine

2-[6-imino-11-(methylamino)undecyl]guanidine (PubChem CID 58076497) has the molecular formula C13H29N5 and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[6-imino-11-(methylamino)undecyl]guanidine.

Molecular Properties

Compound Name2-[6-imino-11-(methylamino)undecyl]guanidine
PubChem CID58076497
Molecular FormulaC13H29N5
Molecular Weight255.41 g/mol
Exact Mass255.24
IUPAC Name2-[6-imino-11-(methylamino)undecyl]guanidine
SMILES[H]/N=C(/CCCCCN=C(N)N)CCCCCNC
InChIInChI=1S/C13H29N5/c1-17-10-6-2-4-8-12(14)9-5-3-7-11-18-13(15)16/h14,17H,2-11H2,1H3,(H4,15,16,18)/b14-12+
InChIKeyCEEHPSSPIUVZDB-WYMLVPIESA-N
XLogP1.62
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

4,11-diimino-N-methyldodecan-1-amine
CID 159770178
1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride
CID 176518301
1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride
CID 176533607
CID 59890718
CID 59890718
7-(diaminomethylideneamino)-N-[1-hydroxy-2-[3-(methylamino)propylamino]-2-oxoethyl]heptanamide
CID 90152029
2-[7-(ethylamino)heptyl]guanidine
CID 10104259
1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine
CID 176522885
6-[15-(diaminomethylideneamino)-6-iminopentadecoxy]pyridine-3-carboximidamide
CID 162195050
1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid
CID 176530052
5-(diaminomethylideneamino)-N-methylpentanamide
CID 122591455
9-(diaminomethylideneamino)-N-[(4S,5R)-13-(diaminomethylideneamino)-5-hydroxy-1-(methylamino)tridecan-4-yl]nonanamide
CID 162842198
1-[N'-(6-aminohexyl)carbamimidoyl]-2-(9-cyano-8-iminononyl)guanidine
CID 158684946

Frequently Asked Questions

What is the IUPAC name of 2-[6-imino-11-(methylamino)undecyl]guanidine?
The IUPAC name of 2-[6-imino-11-(methylamino)undecyl]guanidine (CID 58076497) is 2-[6-imino-11-(methylamino)undecyl]guanidine.
What is the SMILES notation for 2-[6-imino-11-(methylamino)undecyl]guanidine?
The canonical SMILES for 2-[6-imino-11-(methylamino)undecyl]guanidine is [H]/N=C(/CCCCCN=C(N)N)CCCCCNC.
What is the InChIKey of 2-[6-imino-11-(methylamino)undecyl]guanidine?
The InChIKey is CEEHPSSPIUVZDB-WYMLVPIESA-N. The full InChI is InChI=1S/C13H29N5/c1-17-10-6-2-4-8-12(14)9-5-3-7-11-18-13(15)16/h14,17H,2-11H2,1H3,(H4,15,16,18)/b14-12+.
What are the key properties of 2-[6-imino-11-(methylamino)undecyl]guanidine?
2-[6-imino-11-(methylamino)undecyl]guanidine has a molecular weight of 255.41 g/mol, XLogP of 1.62, 12 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-imino-11-(methylamino)undecyl]guanidine is sourced from PubChem (CID 58076497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).