CID 59890718

C6H14N4 — CID 59890718

IUPAC—
SMILESCNCCCC/N=C(\[N])N
InChIInChI=1S/C6H14N4/c1-9-4-2-3-5-10-6(7)8/h9H,2-5H2,1H3,(H2,7,10)
InChIKeyODPSYRLYLQQVHK-UHFFFAOYSA-N
MW142.21 g/mol
LogP-0.63
Rot. Bonds5

About CID 59890718

CID 59890718 (PubChem CID 59890718) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol.

Molecular Properties

Compound NameCID 59890718
PubChem CID59890718
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name—
SMILESCNCCCC/N=C(\[N])N
InChIInChI=1S/C6H14N4/c1-9-4-2-3-5-10-6(7)8/h9H,2-5H2,1H3,(H2,7,10)
InChIKeyODPSYRLYLQQVHK-UHFFFAOYSA-N
XLogP-0.63
TPSA72.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
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

2-[6-imino-11-(methylamino)undecyl]guanidine
CID 58076497
N'-cyanomethanimidamide;1-cyano-2-[8-(methylamino)octyl]guanidine
CID 176680168
methyl (2R)-6-[[amino(methoxy)methylidene]amino]-2-[4-(methylamino)butylamino]hexanoate
CID 59712783
N-methyl-7-nitrosoheptan-1-amine
CID 143959135
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
2-[7-(ethylamino)heptyl]guanidine
CID 10104259
8-azido-N-methyloctan-1-amine
CID 151243367
1-N-methylhept-6-ene-1,6-diamine
CID 142387852
hydroxylamine;N-methyloctan-1-amine
CID 144676839
7-(diaminomethylideneamino)-N-[1-hydroxy-2-[3-(methylamino)propylamino]-2-oxoethyl]heptanamide
CID 90152029
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
6-(methylamino)hexyl carbamate
CID 87971440

Frequently Asked Questions

What is the IUPAC name of CID 59890718?
The IUPAC name of CID 59890718 (CID 59890718) is not available.
What is the SMILES notation for CID 59890718?
The canonical SMILES for CID 59890718 is CNCCCC/N=C(\[N])N.
What is the InChIKey of CID 59890718?
The InChIKey is ODPSYRLYLQQVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4/c1-9-4-2-3-5-10-6(7)8/h9H,2-5H2,1H3,(H2,7,10).
What are the key properties of CID 59890718?
CID 59890718 has a molecular weight of 142.21 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59890718 is sourced from PubChem (CID 59890718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).