N-[3-(ethylamino)-2,2-dimethylpropyl]-N-methylformamide

C9H20N2O — CID 126636089

IUPACN-[3-(ethylamino)-2,2-dimethylpropyl]-N-methylformamide
SMILESCCNCC(C)(C)CN(C)C=O
InChIInChI=1S/C9H20N2O/c1-5-10-6-9(2,3)7-11(4)8-12/h8,10H,5-7H2,1-4H3
InChIKeyBPFPDTIZUOMTSC-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.71
Rot. Bonds6

About N-[3-(ethylamino)-2,2-dimethylpropyl]-N-methylformamide

N-[3-(ethylamino)-2,2-dimethylpropyl]-N-methylformamide (PubChem CID 126636089) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-[3-(ethylamino)-2,2-dimethylpropyl]-N-methylformamide.

Molecular Properties

Compound NameN-[3-(ethylamino)-2,2-dimethylpropyl]-N-methylformamide
PubChem CID126636089
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-[3-(ethylamino)-2,2-dimethylpropyl]-N-methylformamide
SMILESCCNCC(C)(C)CN(C)C=O
InChIInChI=1S/C9H20N2O/c1-5-10-6-9(2,3)7-11(4)8-12/h8,10H,5-7H2,1-4H3
InChIKeyBPFPDTIZUOMTSC-UHFFFAOYSA-N
XLogP0.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-N'-ethyl-2,2-dimethyl-N-(2-methylpropyl)propane-1,3-diamine
CID 55056372
N'-(3,5-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine
CID 62261002
N-ethyl-2,2,4,4-tetramethylpentan-1-amine
CID 142123561
3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid
CID 154708185
N-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine
CID 62263671
N-(2-ethoxyethyl)-N,N'-diethyl-2,2-dimethylpropane-1,3-diamine
CID 63692665
N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine
CID 62724123
N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine
CID 62260646
N-ethyl-N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 62260614
N-ethyl-N-methylformamide;propane
CID 144948396
N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 62263625
N,2,2-triethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63965180

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)-2,2-dimethylpropyl]-N-methylformamide?
The IUPAC name of N-[3-(ethylamino)-2,2-dimethylpropyl]-N-methylformamide (CID 126636089) is N-[3-(ethylamino)-2,2-dimethylpropyl]-N-methylformamide.
What is the SMILES notation for N-[3-(ethylamino)-2,2-dimethylpropyl]-N-methylformamide?
The canonical SMILES for N-[3-(ethylamino)-2,2-dimethylpropyl]-N-methylformamide is CCNCC(C)(C)CN(C)C=O.
What is the InChIKey of N-[3-(ethylamino)-2,2-dimethylpropyl]-N-methylformamide?
The InChIKey is BPFPDTIZUOMTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-5-10-6-9(2,3)7-11(4)8-12/h8,10H,5-7H2,1-4H3.
What are the key properties of N-[3-(ethylamino)-2,2-dimethylpropyl]-N-methylformamide?
N-[3-(ethylamino)-2,2-dimethylpropyl]-N-methylformamide has a molecular weight of 172.27 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)-2,2-dimethylpropyl]-N-methylformamide is sourced from PubChem (CID 126636089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).