N,N-bis(cyanomethyl)-2-(ethylamino)-2-methylpropanamide

C10H16N4O — CID 62831725

IUPACN,N-bis(cyanomethyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)N(CC#N)CC#N
InChIInChI=1S/C10H16N4O/c1-4-13-10(2,3)9(15)14(7-5-11)8-6-12/h13H,4,7-8H2,1-3H3
InChIKeyKVVCQQDRCJVGMP-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.25
Rot. Bonds5

About N,N-bis(cyanomethyl)-2-(ethylamino)-2-methylpropanamide

N,N-bis(cyanomethyl)-2-(ethylamino)-2-methylpropanamide (PubChem CID 62831725) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-2-(ethylamino)-2-methylpropanamide
PubChem CID62831725
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN,N-bis(cyanomethyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)N(CC#N)CC#N
InChIInChI=1S/C10H16N4O/c1-4-13-10(2,3)9(15)14(7-5-11)8-6-12/h13H,4,7-8H2,1-3H3
InChIKeyKVVCQQDRCJVGMP-UHFFFAOYSA-N
XLogP0.25
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[bis(cyanomethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82813360
N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide
CID 62835754
N-ethyl-2-(ethylamino)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 62835692
N-[2-(diethylamino)-2-oxoethyl]-2-(ethylamino)-N,2-dimethylpropanamide
CID 62835893
2-(ethylamino)-2-methyl-N,N-bis(3-methylbutyl)propanamide
CID 62834927
N-ethyl-2-(ethylamino)-N-[2-(ethylamino)-2-oxoethyl]-2-methylpropanamide
CID 62835866
N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)-2-methylpropanamide
CID 62832682
N-(4-cyanophenyl)-2-(ethylamino)-N,2-dimethylpropanamide
CID 62982145
N-(cyanomethyl)-N-ethylacetamide
CID 14023628
2-(ethylamino)-N,2-dimethyl-N-(2-methylpropyl)propanamide
CID 62833280
N-[3-(dimethylamino)propyl]-2-(ethylamino)-N,2-dimethylpropanamide
CID 63693670
N,N-bis(cyanomethyl)-2,2,3,3-tetrafluoropropanamide
CID 103733396

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N,N-bis(cyanomethyl)-2-(ethylamino)-2-methylpropanamide (CID 62831725) is N,N-bis(cyanomethyl)-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N,N-bis(cyanomethyl)-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)N(CC#N)CC#N.
What is the InChIKey of N,N-bis(cyanomethyl)-2-(ethylamino)-2-methylpropanamide?
The InChIKey is KVVCQQDRCJVGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-4-13-10(2,3)9(15)14(7-5-11)8-6-12/h13H,4,7-8H2,1-3H3.
What are the key properties of N,N-bis(cyanomethyl)-2-(ethylamino)-2-methylpropanamide?
N,N-bis(cyanomethyl)-2-(ethylamino)-2-methylpropanamide has a molecular weight of 208.26 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62831725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).