N-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C13H26N2O — CID 66476636

IUPACN-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NCCCCCN)C1(C)C
InChIInChI=1S/C13H26N2O/c1-12(2)10(13(12,3)4)11(16)15-9-7-5-6-8-14/h10H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyYCLZTAXQTBHBCA-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.91
Rot. Bonds6

About N-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 66476636) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID66476636
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NCCCCCN)C1(C)C
InChIInChI=1S/C13H26N2O/c1-12(2)10(13(12,3)4)11(16)15-9-7-5-6-8-14/h10H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyYCLZTAXQTBHBCA-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.91
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-(4-aminobutyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475681
N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000185
N-(4-aminobutyl)acetamide;N-(5-aminopentyl)acetamide;N-(3-aminopropyl)acetamide
CID 161046106
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
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
1-(4-aminobutyl)-3-[4-(hexadecylcarbamoylamino)butyl]urea
CID 101384576
cis-(1S,2R)-2-(4-aminobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 93367078
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N-(6-aminohexyl)-2-chloroacetamide
CID 14484874
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 66476636) is N-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)NCCCCCN)C1(C)C.
What is the InChIKey of N-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is YCLZTAXQTBHBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)10(13(12,3)4)11(16)15-9-7-5-6-8-14/h10H,5-9,14H2,1-4H3,(H,15,16).
What are the key properties of N-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 66476636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).