1-[4-[4-(diaminomethylideneamino)butylamino]butyl]guanidine

C10H25N7 — CID 176536670

IUPAC1-[4-[4-(diaminomethylideneamino)butylamino]butyl]guanidine
SMILES[H]/N=C(\N)NCCCCNCCCCN=C(N)N
InChIInChI=1S/C10H25N7/c11-9(12)16-7-3-1-5-15-6-2-4-8-17-10(13)14/h15H,1-8H2,(H4,11,12,16)(H4,13,14,17)
InChIKeyFKVPYTSWZSAXRC-UHFFFAOYSA-N
MW243.36 g/mol
LogP-1.11
Rot. Bonds10

About 1-[4-[4-(diaminomethylideneamino)butylamino]butyl]guanidine

1-[4-[4-(diaminomethylideneamino)butylamino]butyl]guanidine (PubChem CID 176536670) has the molecular formula C10H25N7 and a molecular weight of 243.36 g/mol. Its IUPAC name is 1-[4-[4-(diaminomethylideneamino)butylamino]butyl]guanidine.

Molecular Properties

Compound Name1-[4-[4-(diaminomethylideneamino)butylamino]butyl]guanidine
PubChem CID176536670
Molecular FormulaC10H25N7
Molecular Weight243.36 g/mol
Exact Mass243.22
IUPAC Name1-[4-[4-(diaminomethylideneamino)butylamino]butyl]guanidine
SMILES[H]/N=C(\N)NCCCCNCCCCN=C(N)N
InChIInChI=1S/C10H25N7/c11-9(12)16-7-3-1-5-15-6-2-4-8-17-10(13)14/h15H,1-8H2,(H4,11,12,16)(H4,13,14,17)
InChIKeyFKVPYTSWZSAXRC-UHFFFAOYSA-N
XLogP-1.11
TPSA138.33 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.36
LogP ≤ 5-1.11
H-Bond Donors ≤ 56
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

1-Butyl-3-(diaminomethylidene)guanidine
CID 176521725
Etoformin
CID 170347
N-(4-carbamimidamidobutyl)guanidine
CID 176519214
N-[4-(4-Amino-butylamino)-butyl]-guanidine
CID 10397928
N,N''-Dibutylguanidine
CID 14771682
N-(4-Aminobutyl)-N'-methylguanidine
CID 196509
Etoformin Hydrochloride
CID 170346
1-(4-Aminobutyl)-3-(prop-2-ynyl)guanidine
CID 135469285
N,N'-Dibutyltriimidodicarbonic diamide--hydrogen chloride (1/1)
CID 9570960
N(1)-aminopropylagmatine(3+)
CID 54758668
N-[4-(4-Guanidino-butylamino)-butyl]-guanidine
CID 10444474
1,10-Diguanidinodecane
CID 176517503

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(diaminomethylideneamino)butylamino]butyl]guanidine?
The IUPAC name of 1-[4-[4-(diaminomethylideneamino)butylamino]butyl]guanidine (CID 176536670) is 1-[4-[4-(diaminomethylideneamino)butylamino]butyl]guanidine.
What is the SMILES notation for 1-[4-[4-(diaminomethylideneamino)butylamino]butyl]guanidine?
The canonical SMILES for 1-[4-[4-(diaminomethylideneamino)butylamino]butyl]guanidine is [H]/N=C(\N)NCCCCNCCCCN=C(N)N.
What is the InChIKey of 1-[4-[4-(diaminomethylideneamino)butylamino]butyl]guanidine?
The InChIKey is FKVPYTSWZSAXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N7/c11-9(12)16-7-3-1-5-15-6-2-4-8-17-10(13)14/h15H,1-8H2,(H4,11,12,16)(H4,13,14,17).
What are the key properties of 1-[4-[4-(diaminomethylideneamino)butylamino]butyl]guanidine?
1-[4-[4-(diaminomethylideneamino)butylamino]butyl]guanidine has a molecular weight of 243.36 g/mol, XLogP of -1.11, 10 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(diaminomethylideneamino)butylamino]butyl]guanidine is sourced from PubChem (CID 176536670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).