N-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane

C13H28N2O — CID 166075449

IUPACN-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane
SMILESCC.CC(CCN(C)C)CNC(=O)C1CC1
InChIInChI=1S/C11H22N2O.C2H6/c1-9(6-7-13(2)3)8-12-11(14)10-4-5-10;1-2/h9-10H,4-8H2,1-3H3,(H,12,14);1-2H3
InChIKeyKWHOZGFYRYBYDC-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.13
Rot. Bonds6

About N-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane

N-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane (PubChem CID 166075449) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane
PubChem CID166075449
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane
SMILESCC.CC(CCN(C)C)CNC(=O)C1CC1
InChIInChI=1S/C11H22N2O.C2H6/c1-9(6-7-13(2)3)8-12-11(14)10-4-5-10;1-2/h9-10H,4-8H2,1-3H3,(H,12,14);1-2H3
InChIKeyKWHOZGFYRYBYDC-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
CID 82010371
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide
CID 114316713
4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide
CID 66092057
N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide
CID 98268645
N-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592
N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide
CID 114313551
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
3-methyl-4-[(4-propan-2-ylcyclohexanecarbonyl)amino]butanoic acid
CID 120536964
4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 55115402
N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide
CID 58124356
4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide
CID 114302699

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane?
The IUPAC name of N-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane (CID 166075449) is N-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane.
What is the SMILES notation for N-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane?
The canonical SMILES for N-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane is CC.CC(CCN(C)C)CNC(=O)C1CC1.
What is the InChIKey of N-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane?
The InChIKey is KWHOZGFYRYBYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C2H6/c1-9(6-7-13(2)3)8-12-11(14)10-4-5-10;1-2/h9-10H,4-8H2,1-3H3,(H,12,14);1-2H3.
What are the key properties of N-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane?
N-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane has a molecular weight of 228.38 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane is sourced from PubChem (CID 166075449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).