cyclohexane;N-[2-(diethylamino)ethyl]-N-(methylamino)formamide

C14H31N3O — CID 143885690

IUPACcyclohexane;N-[2-(diethylamino)ethyl]-N-(methylamino)formamide
SMILESC1CCCCC1.CCN(CC)CCN(C=O)NC
InChIInChI=1S/C8H19N3O.C6H12/c1-4-10(5-2)6-7-11(8-12)9-3;1-2-4-6-5-3-1/h8-9H,4-7H2,1-3H3;1-6H2
InChIKeyAYSNJGYVEKYRFR-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.26
Rot. Bonds7

About cyclohexane;N-[2-(diethylamino)ethyl]-N-(methylamino)formamide

cyclohexane;N-[2-(diethylamino)ethyl]-N-(methylamino)formamide (PubChem CID 143885690) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is cyclohexane;N-[2-(diethylamino)ethyl]-N-(methylamino)formamide.

Molecular Properties

Compound Namecyclohexane;N-[2-(diethylamino)ethyl]-N-(methylamino)formamide
PubChem CID143885690
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Namecyclohexane;N-[2-(diethylamino)ethyl]-N-(methylamino)formamide
SMILESC1CCCCC1.CCN(CC)CCN(C=O)NC
InChIInChI=1S/C8H19N3O.C6H12/c1-4-10(5-2)6-7-11(8-12)9-3;1-2-4-6-5-3-1/h8-9H,4-7H2,1-3H3;1-6H2
InChIKeyAYSNJGYVEKYRFR-UHFFFAOYSA-N
XLogP2.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;N-[2-(diethylamino)ethyl]-N-(methylamino)formamide?
The IUPAC name of cyclohexane;N-[2-(diethylamino)ethyl]-N-(methylamino)formamide (CID 143885690) is cyclohexane;N-[2-(diethylamino)ethyl]-N-(methylamino)formamide.
What is the SMILES notation for cyclohexane;N-[2-(diethylamino)ethyl]-N-(methylamino)formamide?
The canonical SMILES for cyclohexane;N-[2-(diethylamino)ethyl]-N-(methylamino)formamide is C1CCCCC1.CCN(CC)CCN(C=O)NC.
What is the InChIKey of cyclohexane;N-[2-(diethylamino)ethyl]-N-(methylamino)formamide?
The InChIKey is AYSNJGYVEKYRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O.C6H12/c1-4-10(5-2)6-7-11(8-12)9-3;1-2-4-6-5-3-1/h8-9H,4-7H2,1-3H3;1-6H2.
What are the key properties of cyclohexane;N-[2-(diethylamino)ethyl]-N-(methylamino)formamide?
cyclohexane;N-[2-(diethylamino)ethyl]-N-(methylamino)formamide has a molecular weight of 257.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;N-[2-(diethylamino)ethyl]-N-(methylamino)formamide is sourced from PubChem (CID 143885690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).