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

C12H25N3 — CID 117237125

IUPACN'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
SMILESCN1CCC(C(N)CNC2CCCC2)C1
InChIInChI=1S/C12H25N3/c1-15-7-6-10(9-15)12(13)8-14-11-4-2-3-5-11/h10-12,14H,2-9,13H2,1H3
InChIKeySNIQEEKGCIVMHT-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.80
Rot. Bonds4

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

N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine (PubChem CID 117237125) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
PubChem CID117237125
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
SMILESCN1CCC(C(N)CNC2CCCC2)C1
InChIInChI=1S/C12H25N3/c1-15-7-6-10(9-15)12(13)8-14-11-4-2-3-5-11/h10-12,14H,2-9,13H2,1H3
InChIKeySNIQEEKGCIVMHT-UHFFFAOYSA-N
XLogP0.80
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237112
2-chloro-1-(1-methylpyrrolidin-3-yl)ethanamine
CID 116937646
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-[(1-methylpyrrolidin-3-yl)methyl]cyclopentanamine
CID 60856905
N'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237587
3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine
CID 115119475
3-(cyclobutylamino)-2-(1-methylpiperidin-4-yl)propan-1-ol
CID 117239023
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'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine (CID 117237125) is N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine is CN1CCC(C(N)CNC2CCCC2)C1.
What is the InChIKey of N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine?
The InChIKey is SNIQEEKGCIVMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-15-7-6-10(9-15)12(13)8-14-11-4-2-3-5-11/h10-12,14H,2-9,13H2,1H3.
What are the key properties of N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine?
N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine has a molecular weight of 211.35 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 117237125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).