N-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide

C13H25NO — CID 78858376

IUPACN-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide
SMILESCCCCN(C(=O)C1CC1C)C(C)CC
InChIInChI=1S/C13H25NO/c1-5-7-8-14(11(4)6-2)13(15)12-9-10(12)3/h10-12H,5-9H2,1-4H3
InChIKeyXZRCSXIYPDLCPJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.07
Rot. Bonds6

About N-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide

N-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide (PubChem CID 78858376) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide
PubChem CID78858376
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide
SMILESCCCCN(C(=O)C1CC1C)C(C)CC
InChIInChI=1S/C13H25NO/c1-5-7-8-14(11(4)6-2)13(15)12-9-10(12)3/h10-12H,5-9H2,1-4H3
InChIKeyXZRCSXIYPDLCPJ-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62781384
3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550345
4-amino-N-butan-2-yl-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62781228
N-(3-aminopropyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 43136679
N-butan-2-yl-N-butyl-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851729
2-[pentan-2-yl(pentyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975571
4-amino-2-methyl-N-pentyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 62782228
N-(2-bromoethyl)-2-methyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 80666606
1-[butyl-(2-methylcyclopropyl)amino]ethanol
CID 89249341
3-amino-N-butan-2-yl-N-butyl-2,2,3-trimethylbutanamide
CID 65269662
5-[butan-2-yl(butyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426993
4-[[butan-2-yl(butyl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66266526

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide (CID 78858376) is N-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide is CCCCN(C(=O)C1CC1C)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide?
The InChIKey is XZRCSXIYPDLCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-7-8-14(11(4)6-2)13(15)12-9-10(12)3/h10-12H,5-9H2,1-4H3.
What are the key properties of N-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide?
N-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide has a molecular weight of 211.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 78858376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).