2-[1-amino-1-(diaminomethylideneamino)octyl]guanidine

C10H25N7 — CID 175309521

IUPAC2-[1-amino-1-(diaminomethylideneamino)octyl]guanidine
SMILESCCCCCCCC(N)(N=C(N)N)N=C(N)N
InChIInChI=1S/C10H25N7/c1-2-3-4-5-6-7-10(15,16-8(11)12)17-9(13)14/h2-7,15H2,1H3,(H4,11,12,16)(H4,13,14,17)
InChIKeyYYLIPDQKBCZATC-UHFFFAOYSA-N
MW243.36 g/mol
LogP-0.49
Rot. Bonds8

About 2-[1-amino-1-(diaminomethylideneamino)octyl]guanidine

2-[1-amino-1-(diaminomethylideneamino)octyl]guanidine (PubChem CID 175309521) has the molecular formula C10H25N7 and a molecular weight of 243.36 g/mol. Its IUPAC name is 2-[1-amino-1-(diaminomethylideneamino)octyl]guanidine.

Molecular Properties

Compound Name2-[1-amino-1-(diaminomethylideneamino)octyl]guanidine
PubChem CID175309521
Molecular FormulaC10H25N7
Molecular Weight243.36 g/mol
Exact Mass243.22
IUPAC Name2-[1-amino-1-(diaminomethylideneamino)octyl]guanidine
SMILESCCCCCCCC(N)(N=C(N)N)N=C(N)N
InChIInChI=1S/C10H25N7/c1-2-3-4-5-6-7-10(15,16-8(11)12)17-9(13)14/h2-7,15H2,1H3,(H4,11,12,16)(H4,13,14,17)
InChIKeyYYLIPDQKBCZATC-UHFFFAOYSA-N
XLogP-0.49
TPSA154.82 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.36
LogP ≤ 5-0.49
H-Bond Donors ≤ 55
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'}

Analyze 2-[1-amino-1-(diaminomethylideneamino)octyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-aminoundecane-1,1-diol
CID 21111671
1,1-diaminooctan-1-ol
CID 20507531
11-decylhenicosan-11-amine
CID 19847882
tetracosane-6,6-diamine
CID 154005419
nonane-1,1,1-triamine
CID 18954154
6-pentyldodecan-6-ylphosphonous acid
CID 139309653
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
5-butylhexadecan-5-amine
CID 22244897
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
12-undecyltricosan-12-amine;hydrate
CID 173445536

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-1-(diaminomethylideneamino)octyl]guanidine?
The IUPAC name of 2-[1-amino-1-(diaminomethylideneamino)octyl]guanidine (CID 175309521) is 2-[1-amino-1-(diaminomethylideneamino)octyl]guanidine.
What is the SMILES notation for 2-[1-amino-1-(diaminomethylideneamino)octyl]guanidine?
The canonical SMILES for 2-[1-amino-1-(diaminomethylideneamino)octyl]guanidine is CCCCCCCC(N)(N=C(N)N)N=C(N)N.
What is the InChIKey of 2-[1-amino-1-(diaminomethylideneamino)octyl]guanidine?
The InChIKey is YYLIPDQKBCZATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N7/c1-2-3-4-5-6-7-10(15,16-8(11)12)17-9(13)14/h2-7,15H2,1H3,(H4,11,12,16)(H4,13,14,17).
What are the key properties of 2-[1-amino-1-(diaminomethylideneamino)octyl]guanidine?
2-[1-amino-1-(diaminomethylideneamino)octyl]guanidine has a molecular weight of 243.36 g/mol, XLogP of -0.49, 8 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-1-(diaminomethylideneamino)octyl]guanidine is sourced from PubChem (CID 175309521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).