N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine

C11H23N3 — CID 117237112

IUPACN'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
SMILESCN1CCC(C(N)CNC2CCC2)C1
InChIInChI=1S/C11H23N3/c1-14-6-5-9(8-14)11(12)7-13-10-3-2-4-10/h9-11,13H,2-8,12H2,1H3
InChIKeyOSWXWXOXKWPFDC-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.41
Rot. Bonds4

About N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine

N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine (PubChem CID 117237112) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
PubChem CID117237112
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
SMILESCN1CCC(C(N)CNC2CCC2)C1
InChIInChI=1S/C11H23N3/c1-14-6-5-9(8-14)11(12)7-13-10-3-2-4-10/h9-11,13H,2-8,12H2,1H3
InChIKeyOSWXWXOXKWPFDC-UHFFFAOYSA-N
XLogP0.41
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237125
2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 116937646
3-(cyclobutylamino)-2-(1-methylpiperidin-4-yl)propan-1-ol
CID 117239023
1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine
CID 117237518
methyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate
CID 117238066
N'-cyclopropyl-1-(1-ethylpiperidin-4-yl)ethane-1,2-diamine
CID 117238537
1-(1-methylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 116935127
N'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237573
3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine
CID 115119475
(2S)-1-N-cyclobutylbutane-1,2-diamine
CID 94424015
1-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 116933806
3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850731

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine (CID 117237112) is N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine is CN1CCC(C(N)CNC2CCC2)C1.
What is the InChIKey of N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine?
The InChIKey is OSWXWXOXKWPFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-14-6-5-9(8-14)11(12)7-13-10-3-2-4-10/h9-11,13H,2-8,12H2,1H3.
What are the key properties of N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine?
N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine has a molecular weight of 197.33 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 117237112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).