N-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C12H24N2O — CID 66475681

IUPACN-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NCCCCN)C1(C)C
InChIInChI=1S/C12H24N2O/c1-11(2)9(12(11,3)4)10(15)14-8-6-5-7-13/h9H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyXKAVHIXKVCTVRQ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.52
Rot. Bonds5

About N-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 66475681) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID66475681
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NCCCCN)C1(C)C
InChIInChI=1S/C12H24N2O/c1-11(2)9(12(11,3)4)10(15)14-8-6-5-7-13/h9H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyXKAVHIXKVCTVRQ-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476636
N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000185
3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836170
N-(4-aminobutyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide
CID 139263975
cis-(1S,2R)-2-(4-aminobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 93367078
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide
CID 24711673
2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide
CID 11173396
1-(4-aminobutyl)-3-[4-(hexadecylcarbamoylamino)butyl]urea
CID 101384576
(4R,5R)-N-(3-aminopropyl)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxamide
CID 11817129

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 66475681) is N-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)NCCCCN)C1(C)C.
What is the InChIKey of N-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is XKAVHIXKVCTVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2)9(12(11,3)4)10(15)14-8-6-5-7-13/h9H,5-8,13H2,1-4H3,(H,14,15).
What are the key properties of N-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 66475681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).