2-[4-(diaminomethylideneamino)butyl]guanidine

C6H16N6 — CID 2227

IUPAC2-[4-(diaminomethylideneamino)butyl]guanidine
SMILESNC(N)=NCCCCN=C(N)N
InChIInChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)
InChIKeyHGMDNMBBCKDWTQ-UHFFFAOYSA-N
MW172.24 g/mol
LogP-1.69
Rot. Bonds5

About 2-[4-(diaminomethylideneamino)butyl]guanidine

2-[4-(diaminomethylideneamino)butyl]guanidine (PubChem CID 2227) has the molecular formula C6H16N6 and a molecular weight of 172.24 g/mol. Its IUPAC name is 2-[4-(diaminomethylideneamino)butyl]guanidine.

Molecular Properties

Compound Name2-[4-(diaminomethylideneamino)butyl]guanidine
PubChem CID2227
Molecular FormulaC6H16N6
Molecular Weight172.24 g/mol
Exact Mass172.14
IUPAC Name2-[4-(diaminomethylideneamino)butyl]guanidine
SMILESNC(N)=NCCCCN=C(N)N
InChIInChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)
InChIKeyHGMDNMBBCKDWTQ-UHFFFAOYSA-N
XLogP-1.69
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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

Agmatine
CID 199
Buformin
CID 2468
Agmatinium(2+)
CID 5257176
1-(5-Aminopentyl)guanidine
CID 21298950
Audouine
CID 42788
Buformin Hydrochloride
CID 84976
Guanidine, butanedi-, dihydrochloride
CID 94117
1,6-Diguanidinohexane
CID 23819
2-Butylguanidine
CID 199249
N-(4-Amino-butyl)-guanidine dihydrochloride
CID 12358361
Propylbiguanide
CID 30119
3,8-Diimino-2,4,7,9-tetraazadecanediimidamide
CID 112926

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diaminomethylideneamino)butyl]guanidine?
The IUPAC name of 2-[4-(diaminomethylideneamino)butyl]guanidine (CID 2227) is 2-[4-(diaminomethylideneamino)butyl]guanidine.
What is the SMILES notation for 2-[4-(diaminomethylideneamino)butyl]guanidine?
The canonical SMILES for 2-[4-(diaminomethylideneamino)butyl]guanidine is NC(N)=NCCCCN=C(N)N.
What is the InChIKey of 2-[4-(diaminomethylideneamino)butyl]guanidine?
The InChIKey is HGMDNMBBCKDWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12).
What are the key properties of 2-[4-(diaminomethylideneamino)butyl]guanidine?
2-[4-(diaminomethylideneamino)butyl]guanidine has a molecular weight of 172.24 g/mol, XLogP of -1.69, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diaminomethylideneamino)butyl]guanidine is sourced from PubChem (CID 2227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).