1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine

C10H24N6 — CID 83037161

IUPAC1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
SMILESCC(C)N(C)CCCC/N=C(\N)N=C(N)N
InChIInChI=1S/C10H24N6/c1-8(2)16(3)7-5-4-6-14-10(13)15-9(11)12/h8H,4-7H2,1-3H3,(H6,11,12,13,14,15)
InChIKeyKRLQVQHLMLBBNG-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.31
Rot. Bonds6

About 1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine

1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine (PubChem CID 83037161) has the molecular formula C10H24N6 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
PubChem CID83037161
Molecular FormulaC10H24N6
Molecular Weight228.34 g/mol
Exact Mass228.21
IUPAC Name1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
SMILESCC(C)N(C)CCCC/N=C(\N)N=C(N)N
InChIInChI=1S/C10H24N6/c1-8(2)16(3)7-5-4-6-14-10(13)15-9(11)12/h8H,4-7H2,1-3H3,(H6,11,12,13,14,15)
InChIKeyKRLQVQHLMLBBNG-UHFFFAOYSA-N
XLogP-0.31
TPSA106.02 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
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

N'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide
CID 63176646
N'-[4-[methyl(propan-2-yl)amino]butyl]butanimidamide
CID 63176647
2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine
CID 22639457
2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine
CID 22639468
2-[6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl]-1-(diaminomethylidene)guanidine
CID 516375
1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 176547006
N'-[4-[methyl(propan-2-yl)amino]butyl]azepane-1-carboximidamide;hydroiodide
CID 86779285
1-(diaminomethylidene)-2-heptylguanidine;hydrochloride
CID 71332603
N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 16748474
1-amino-2-[4-[methyl(propan-2-yl)amino]butyl]-3-phenylguanidine
CID 116514213
ethyl 4-[[amino-(diaminomethylideneamino)methylidene]amino]butanoate
CID 83034898
1-ethyl-3-(2-methoxyethyl)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 110942648

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine (CID 83037161) is 1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine is CC(C)N(C)CCCC/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
The InChIKey is KRLQVQHLMLBBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N6/c1-8(2)16(3)7-5-4-6-14-10(13)15-9(11)12/h8H,4-7H2,1-3H3,(H6,11,12,13,14,15).
What are the key properties of 1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine has a molecular weight of 228.34 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine is sourced from PubChem (CID 83037161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).