N-[2-[ethyl(hexan-3-yl)amino]ethyl]-N-methylformamide

C12H26N2O — CID 143540663

IUPACN-[2-[ethyl(hexan-3-yl)amino]ethyl]-N-methylformamide
SMILESCCCC(CC)N(CC)CCN(C)C=O
InChIInChI=1S/C12H26N2O/c1-5-8-12(6-2)14(7-3)10-9-13(4)11-15/h11-12H,5-10H2,1-4H3
InChIKeyYOYVWKUPJIEGJK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.98
Rot. Bonds9

About N-[2-[ethyl(hexan-3-yl)amino]ethyl]-N-methylformamide

N-[2-[ethyl(hexan-3-yl)amino]ethyl]-N-methylformamide (PubChem CID 143540663) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[2-[ethyl(hexan-3-yl)amino]ethyl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-[ethyl(hexan-3-yl)amino]ethyl]-N-methylformamide
PubChem CID143540663
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[2-[ethyl(hexan-3-yl)amino]ethyl]-N-methylformamide
SMILESCCCC(CC)N(CC)CCN(C)C=O
InChIInChI=1S/C12H26N2O/c1-5-8-12(6-2)14(7-3)10-9-13(4)11-15/h11-12H,5-10H2,1-4H3
InChIKeyYOYVWKUPJIEGJK-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Cyclohexyl-N-ethylformamide
CID 10773210
N-cyclohexyl-N-propyl-formamide
CID 10583265
N-Cyclohexyl-N-isopropyl-formamide
CID 10654696
Formamide, N-butyl-N-(1-methylethyl)-
CID 547377
N-[(2S)-1-[ethyl(2,2,2-trifluoroethyl)amino]pentan-2-yl]-N-methylformamide
CID 144814248
N-methyl-N-[1-[methyl(propan-2-yl)amino]propan-2-yl]formamide
CID 19840883
N-butyl-N-[2-[butyl(ethyl)amino]ethyl]formamide
CID 19840893
N,N-di(pentan-3-yl)formamide
CID 19959733
N,N-di(hexan-3-yl)formamide
CID 22149154
N,N-di(pentan-2-yl)formamide
CID 22149159
N,N-di(hexan-2-yl)formamide
CID 22149163
N-butyl-N-cyclohexylformamide
CID 22559369

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(hexan-3-yl)amino]ethyl]-N-methylformamide?
The IUPAC name of N-[2-[ethyl(hexan-3-yl)amino]ethyl]-N-methylformamide (CID 143540663) is N-[2-[ethyl(hexan-3-yl)amino]ethyl]-N-methylformamide.
What is the SMILES notation for N-[2-[ethyl(hexan-3-yl)amino]ethyl]-N-methylformamide?
The canonical SMILES for N-[2-[ethyl(hexan-3-yl)amino]ethyl]-N-methylformamide is CCCC(CC)N(CC)CCN(C)C=O.
What is the InChIKey of N-[2-[ethyl(hexan-3-yl)amino]ethyl]-N-methylformamide?
The InChIKey is YOYVWKUPJIEGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-8-12(6-2)14(7-3)10-9-13(4)11-15/h11-12H,5-10H2,1-4H3.
What are the key properties of N-[2-[ethyl(hexan-3-yl)amino]ethyl]-N-methylformamide?
N-[2-[ethyl(hexan-3-yl)amino]ethyl]-N-methylformamide has a molecular weight of 214.35 g/mol, XLogP of 1.98, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(hexan-3-yl)amino]ethyl]-N-methylformamide is sourced from PubChem (CID 143540663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).