2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine

C14H28N6 — CID 110062172

IUPAC2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
SMILESN/C(=N\CCCCCC/N=C(\N)NC1CC1)NC1CC1
InChIInChI=1S/C14H28N6/c15-13(19-11-5-6-11)17-9-3-1-2-4-10-18-14(16)20-12-7-8-12/h11-12H,1-10H2,(H3,15,17,19)(H3,16,18,20)
InChIKeyXTYPRLLFRJEGFL-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.68
Rot. Bonds9

About 2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine

2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine (PubChem CID 110062172) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine.

Molecular Properties

Compound Name2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
PubChem CID110062172
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
SMILESN/C(=N\CCCCCC/N=C(\N)NC1CC1)NC1CC1
InChIInChI=1S/C14H28N6/c15-13(19-11-5-6-11)17-9-3-1-2-4-10-18-14(16)20-12-7-8-12/h11-12H,1-10H2,(H3,15,17,19)(H3,16,18,20)
InChIKeyXTYPRLLFRJEGFL-UHFFFAOYSA-N
XLogP0.68
TPSA100.82 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.68
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

4-[[amino-(cyclopropylamino)methylidene]amino]butanamide
CID 62363959
1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine
CID 111435809
1-cyclohexyl-2-octylguanidine
CID 113337391
1-cyclopropyl-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111435808
2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine
CID 110914060
methyl 5-[[amino-(cyclopropylamino)methylidene]amino]pentanoate
CID 110930156
1-cyclohexyl-2-[7-(dimethylamino)heptyl]guanidine
CID 111084877
1-cyclopropyl-2-(3-methylbutyl)guanidine
CID 62362173
1-cyclohexyl-2-(5-methylhexyl)guanidine
CID 79479082
2-(2-cyclohexyloxyethyl)-1-cyclopropylguanidine
CID 62406041
1-cyclopropyl-2-(2-sulfamoylethyl)guanidine
CID 62361534
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine?
The IUPAC name of 2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine (CID 110062172) is 2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine.
What is the SMILES notation for 2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine?
The canonical SMILES for 2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine is N/C(=N\CCCCCC/N=C(\N)NC1CC1)NC1CC1.
What is the InChIKey of 2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine?
The InChIKey is XTYPRLLFRJEGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c15-13(19-11-5-6-11)17-9-3-1-2-4-10-18-14(16)20-12-7-8-12/h11-12H,1-10H2,(H3,15,17,19)(H3,16,18,20).
What are the key properties of 2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine?
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine has a molecular weight of 280.42 g/mol, XLogP of 0.68, 9 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine is sourced from PubChem (CID 110062172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).