1-(diaminomethylidene)-2-dodecan-5-ylguanidine

C14H31N5 — CID 57270136

IUPAC1-(diaminomethylidene)-2-dodecan-5-ylguanidine
SMILESCCCCCCCC(CCCC)/N=C(\N)N=C(N)N
InChIInChI=1S/C14H31N5/c1-3-5-7-8-9-11-12(10-6-4-2)18-14(17)19-13(15)16/h12H,3-11H2,1-2H3,(H6,15,16,17,18,19)
InChIKeyNUJDQDLAGZJQCU-UHFFFAOYSA-N
MW269.44 g/mol
LogP2.49
Rot. Bonds10

About 1-(diaminomethylidene)-2-dodecan-5-ylguanidine

1-(diaminomethylidene)-2-dodecan-5-ylguanidine (PubChem CID 57270136) has the molecular formula C14H31N5 and a molecular weight of 269.44 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-dodecan-5-ylguanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-dodecan-5-ylguanidine
PubChem CID57270136
Molecular FormulaC14H31N5
Molecular Weight269.44 g/mol
Exact Mass269.26
IUPAC Name1-(diaminomethylidene)-2-dodecan-5-ylguanidine
SMILESCCCCCCCC(CCCC)/N=C(\N)N=C(N)N
InChIInChI=1S/C14H31N5/c1-3-5-7-8-9-11-12(10-6-4-2)18-14(17)19-13(15)16/h12H,3-11H2,1-2H3,(H6,15,16,17,18,19)
InChIKeyNUJDQDLAGZJQCU-UHFFFAOYSA-N
XLogP2.49
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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

1-(diaminomethylidene)-2-octan-3-ylguanidine
CID 87523734
1-(diaminomethylidene)-2-heptan-3-ylguanidine
CID 18769921
2-decan-5-ylguanidine
CID 146527866
2-nonan-5-ylguanidine
CID 88763433
2-octan-4-ylguanidine
CID 106025621
N-dodecan-6-ylundecan-6-imine
CID 134421092
2-[(5S)-5-butyldodecyl]guanidine
CID 155411805
2-(2-decyltetradecyl)guanidine
CID 88879989
N'-octan-4-ylpropanimidamide
CID 106022229
1-(diaminomethylidene)-2-heptylguanidine;hydrochloride
CID 71332603
2-(2-octyldodecyl)guanidine
CID 139725194
N'-octan-4-ylbutanimidamide
CID 106022232

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-dodecan-5-ylguanidine?
The IUPAC name of 1-(diaminomethylidene)-2-dodecan-5-ylguanidine (CID 57270136) is 1-(diaminomethylidene)-2-dodecan-5-ylguanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-dodecan-5-ylguanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-dodecan-5-ylguanidine is CCCCCCCC(CCCC)/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-dodecan-5-ylguanidine?
The InChIKey is NUJDQDLAGZJQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N5/c1-3-5-7-8-9-11-12(10-6-4-2)18-14(17)19-13(15)16/h12H,3-11H2,1-2H3,(H6,15,16,17,18,19).
What are the key properties of 1-(diaminomethylidene)-2-dodecan-5-ylguanidine?
1-(diaminomethylidene)-2-dodecan-5-ylguanidine has a molecular weight of 269.44 g/mol, XLogP of 2.49, 10 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-dodecan-5-ylguanidine is sourced from PubChem (CID 57270136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).