N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide

C13H25NO — CID 58124356

IUPACN-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide
SMILESCC(C)C(CNC(=O)C1CC1)C(C)(C)C
InChIInChI=1S/C13H25NO/c1-9(2)11(13(3,4)5)8-14-12(15)10-6-7-10/h9-11H,6-8H2,1-5H3,(H,14,15)
InChIKeyLQZKSJZMMCIGLB-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.83
Rot. Bonds4

About N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide

N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide (PubChem CID 58124356) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide
PubChem CID58124356
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide
SMILESCC(C)C(CNC(=O)C1CC1)C(C)(C)C
InChIInChI=1S/C13H25NO/c1-9(2)11(13(3,4)5)8-14-12(15)10-6-7-10/h9-11H,6-8H2,1-5H3,(H,14,15)
InChIKeyLQZKSJZMMCIGLB-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide
CID 115744551
N-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592
4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 83030657
3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 62674977
4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide
CID 114302699
N-(2-chloropropyl)cyclopentanecarboxamide
CID 114296250
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144258
N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide
CID 114493669
4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide
CID 63298695
4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide
CID 66092057

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide?
The IUPAC name of N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide (CID 58124356) is N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide?
The canonical SMILES for N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide is CC(C)C(CNC(=O)C1CC1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide?
The InChIKey is LQZKSJZMMCIGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-9(2)11(13(3,4)5)8-14-12(15)10-6-7-10/h9-11H,6-8H2,1-5H3,(H,14,15).
What are the key properties of N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide?
N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide has a molecular weight of 211.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide is sourced from PubChem (CID 58124356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).