1-(diaminomethylidene)-2-octan-3-ylguanidine

C10H23N5 — CID 87523734

IUPAC1-(diaminomethylidene)-2-octan-3-ylguanidine
SMILESCCCCCC(CC)/N=C(\N)N=C(N)N
InChIInChI=1S/C10H23N5/c1-3-5-6-7-8(4-2)14-10(13)15-9(11)12/h8H,3-7H2,1-2H3,(H6,11,12,13,14,15)
InChIKeyWIUPWPMEWAKOOJ-UHFFFAOYSA-N
MW213.33 g/mol
LogP0.93
Rot. Bonds6

About 1-(diaminomethylidene)-2-octan-3-ylguanidine

1-(diaminomethylidene)-2-octan-3-ylguanidine (PubChem CID 87523734) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-octan-3-ylguanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-octan-3-ylguanidine
PubChem CID87523734
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC Name1-(diaminomethylidene)-2-octan-3-ylguanidine
SMILESCCCCCC(CC)/N=C(\N)N=C(N)N
InChIInChI=1S/C10H23N5/c1-3-5-6-7-8(4-2)14-10(13)15-9(11)12/h8H,3-7H2,1-2H3,(H6,11,12,13,14,15)
InChIKeyWIUPWPMEWAKOOJ-UHFFFAOYSA-N
XLogP0.93
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 50.93
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-heptan-3-ylguanidine
CID 18769921
1-(diaminomethylidene)-2-dodecan-5-ylguanidine
CID 57270136
2-decan-5-ylguanidine
CID 146527866
2-nonan-5-ylguanidine
CID 88763433
2-octan-4-ylguanidine
CID 106025621
3-nitrosooctane
CID 57157162
1-(diaminomethylidene)-2-heptylguanidine;hydrochloride
CID 71332603
2-(2-decyltetradecyl)guanidine
CID 88879989
2-(2-octyldodecyl)guanidine
CID 139725194
2-[(5S)-5-butyldodecyl]guanidine
CID 155411805
2-(1-cyanohexyl)guanidine
CID 141419650
N-dodecan-6-ylundecan-6-imine
CID 134421092

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-octan-3-ylguanidine?
The IUPAC name of 1-(diaminomethylidene)-2-octan-3-ylguanidine (CID 87523734) is 1-(diaminomethylidene)-2-octan-3-ylguanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-octan-3-ylguanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-octan-3-ylguanidine is CCCCCC(CC)/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-octan-3-ylguanidine?
The InChIKey is WIUPWPMEWAKOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5/c1-3-5-6-7-8(4-2)14-10(13)15-9(11)12/h8H,3-7H2,1-2H3,(H6,11,12,13,14,15).
What are the key properties of 1-(diaminomethylidene)-2-octan-3-ylguanidine?
1-(diaminomethylidene)-2-octan-3-ylguanidine has a molecular weight of 213.33 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-octan-3-ylguanidine is sourced from PubChem (CID 87523734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).