N-cyclohexyl-2-(diaminomethylideneamino)acetamide

C9H18N4O — CID 23565544

IUPACN-cyclohexyl-2-(diaminomethylideneamino)acetamide
SMILESNC(N)=NCC(=O)NC1CCCCC1
InChIInChI=1S/C9H18N4O/c10-9(11)12-6-8(14)13-7-4-2-1-3-5-7/h7H,1-6H2,(H,13,14)(H4,10,11,12)
InChIKeyNTAHWZGIQIKYEL-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.29
Rot. Bonds3

About N-cyclohexyl-2-(diaminomethylideneamino)acetamide

N-cyclohexyl-2-(diaminomethylideneamino)acetamide (PubChem CID 23565544) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is N-cyclohexyl-2-(diaminomethylideneamino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(diaminomethylideneamino)acetamide
PubChem CID23565544
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC NameN-cyclohexyl-2-(diaminomethylideneamino)acetamide
SMILESNC(N)=NCC(=O)NC1CCCCC1
InChIInChI=1S/C9H18N4O/c10-9(11)12-6-8(14)13-7-4-2-1-3-5-7/h7H,1-6H2,(H,13,14)(H4,10,11,12)
InChIKeyNTAHWZGIQIKYEL-UHFFFAOYSA-N
XLogP-0.29
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(diaminomethylideneamino)acetamide?
The IUPAC name of N-cyclohexyl-2-(diaminomethylideneamino)acetamide (CID 23565544) is N-cyclohexyl-2-(diaminomethylideneamino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(diaminomethylideneamino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(diaminomethylideneamino)acetamide is NC(N)=NCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(diaminomethylideneamino)acetamide?
The InChIKey is NTAHWZGIQIKYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c10-9(11)12-6-8(14)13-7-4-2-1-3-5-7/h7H,1-6H2,(H,13,14)(H4,10,11,12).
What are the key properties of N-cyclohexyl-2-(diaminomethylideneamino)acetamide?
N-cyclohexyl-2-(diaminomethylideneamino)acetamide has a molecular weight of 198.27 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(diaminomethylideneamino)acetamide is sourced from PubChem (CID 23565544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).