N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-methylcyclopropanamine

C10H19N3 — CID 62978160

IUPACN-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-methylcyclopropanamine
SMILES[H]/N=C1\CCCN1CCN(C)C1CC1
InChIInChI=1S/C10H19N3/c1-12(9-4-5-9)7-8-13-6-2-3-10(13)11/h9,11H,2-8H2,1H3/b11-10+
InChIKeyAQHOVYGFYSPZCD-ZHACJKMWSA-N
MW181.28 g/mol
LogP1.15
Rot. Bonds4

About N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-methylcyclopropanamine

N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-methylcyclopropanamine (PubChem CID 62978160) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-methylcyclopropanamine
PubChem CID62978160
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-methylcyclopropanamine
SMILES[H]/N=C1\CCCN1CCN(C)C1CC1
InChIInChI=1S/C10H19N3/c1-12(9-4-5-9)7-8-13-6-2-3-10(13)11/h9,11H,2-8H2,1H3/b11-10+
InChIKeyAQHOVYGFYSPZCD-ZHACJKMWSA-N
XLogP1.15
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-iminopyrrolidin-1-yl)-N,N-dimethylpropan-1-amine
CID 43121970
1-(2-cyclohexylethyl)pyrrolidin-2-imine
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1-(2-methylsulfanylethyl)pyrrolidin-2-imine
CID 63966554
1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine
CID 62640522
3-[2-(2-iminopyrrolidin-1-yl)ethyl]-1,1-dimethylurea
CID 83112523
1-[3-(2-methylpiperidin-1-yl)propyl]pyrrolidin-2-imine
CID 43121926
1-(cycloheptylmethyl)pyrrolidin-2-imine
CID 131007201
1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine
CID 103007506
N-[2-(2,3-dihydroindol-1-yl)ethyl]-N-methylcyclohexanamine
CID 54806175
1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one
CID 115371177
1-[(3-methylcyclopentyl)methyl]pyrrolidin-2-imine
CID 107413702
N-[3-(2-iminopyrrolidin-1-yl)propyl]methanesulfonamide
CID 106337064

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-methylcyclopropanamine (CID 62978160) is N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-methylcyclopropanamine is [H]/N=C1\CCCN1CCN(C)C1CC1.
What is the InChIKey of N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-methylcyclopropanamine?
The InChIKey is AQHOVYGFYSPZCD-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H19N3/c1-12(9-4-5-9)7-8-13-6-2-3-10(13)11/h9,11H,2-8H2,1H3/b11-10+.
What are the key properties of N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-methylcyclopropanamine?
N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-methylcyclopropanamine has a molecular weight of 181.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 62978160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).