N'-[(C,N-dimethylcarbonimidoyl)amino]pentanimidamide

C8H18N4 — CID 123587898

IUPACN'-[(C,N-dimethylcarbonimidoyl)amino]pentanimidamide
SMILESCCCCC(N)=NN/C(C)=N/C
InChIInChI=1S/C8H18N4/c1-4-5-6-8(9)12-11-7(2)10-3/h4-6H2,1-3H3,(H2,9,12)(H,10,11)
InChIKeyNNUIOTVQAPQLBX-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.09
Rot. Bonds4

About N'-[(C,N-dimethylcarbonimidoyl)amino]pentanimidamide

N'-[(C,N-dimethylcarbonimidoyl)amino]pentanimidamide (PubChem CID 123587898) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is N'-[(C,N-dimethylcarbonimidoyl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-[(C,N-dimethylcarbonimidoyl)amino]pentanimidamide
PubChem CID123587898
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC NameN'-[(C,N-dimethylcarbonimidoyl)amino]pentanimidamide
SMILESCCCCC(N)=NN/C(C)=N/C
InChIInChI=1S/C8H18N4/c1-4-5-6-8(9)12-11-7(2)10-3/h4-6H2,1-3H3,(H2,9,12)(H,10,11)
InChIKeyNNUIOTVQAPQLBX-UHFFFAOYSA-N
XLogP1.09
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-hexan-2-ylideneamino]urea
CID 6152474
N'-[amino(methyl)amino]pentanimidamide
CID 144800598
N'-cyclopropylpentanimidamide
CID 79413074
acetamide;pentanamide
CID 158041283
3-methylhept-2-en-2-amine
CID 87258436
methyl N-methylpentanimidate
CID 89172529
N'-aminononanimidamide
CID 4100069
N'-diazenylpentanimidamide
CID 143625651
acetamide;pentanamide;dihydrochloride
CID 141201232
2-methyl-1-[(E)-pentylideneamino]guanidine
CID 126544495
1-butyl-2-methylguanidine;propane
CID 163254942
N-amino-N'-methylethanimidamide;molecular hydrogen
CID 142049253

Frequently Asked Questions

What is the IUPAC name of N'-[(C,N-dimethylcarbonimidoyl)amino]pentanimidamide?
The IUPAC name of N'-[(C,N-dimethylcarbonimidoyl)amino]pentanimidamide (CID 123587898) is N'-[(C,N-dimethylcarbonimidoyl)amino]pentanimidamide.
What is the SMILES notation for N'-[(C,N-dimethylcarbonimidoyl)amino]pentanimidamide?
The canonical SMILES for N'-[(C,N-dimethylcarbonimidoyl)amino]pentanimidamide is CCCCC(N)=NN/C(C)=N/C.
What is the InChIKey of N'-[(C,N-dimethylcarbonimidoyl)amino]pentanimidamide?
The InChIKey is NNUIOTVQAPQLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-4-5-6-8(9)12-11-7(2)10-3/h4-6H2,1-3H3,(H2,9,12)(H,10,11).
What are the key properties of N'-[(C,N-dimethylcarbonimidoyl)amino]pentanimidamide?
N'-[(C,N-dimethylcarbonimidoyl)amino]pentanimidamide has a molecular weight of 170.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(C,N-dimethylcarbonimidoyl)amino]pentanimidamide is sourced from PubChem (CID 123587898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).