N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide

C17H32N4 — CID 119162570

IUPACN-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC1(C)CC1)N1CCC(CN2CCCC2)C1
InChIInChI=1S/C17H32N4/c1-3-18-16(19-14-17(2)7-8-17)21-11-6-15(13-21)12-20-9-4-5-10-20/h15H,3-14H2,1-2H3,(H,18,19)
InChIKeyQWNIFSKRLJASBZ-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.17
Rot. Bonds5

About N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide

N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide (PubChem CID 119162570) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide
PubChem CID119162570
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC1(C)CC1)N1CCC(CN2CCCC2)C1
InChIInChI=1S/C17H32N4/c1-3-18-16(19-14-17(2)7-8-17)21-11-6-15(13-21)12-20-9-4-5-10-20/h15H,3-14H2,1-2H3,(H,18,19)
InChIKeyQWNIFSKRLJASBZ-UHFFFAOYSA-N
XLogP2.17
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[N-ethyl-N'-[(1-methylcyclopropyl)methyl]carbamimidoyl]piperidine-4-carboxylate
CID 119161269
N'-[2-(4-chlorophenyl)-2-hydroxyethyl]-N-ethyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 111995949
N-ethyl-N'-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119158734
N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119156330
N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 109395668
N-ethyl-N'-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 111996315
N-ethyl-N'-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111996050
N-ethyl-3-(pyrrolidin-1-ylmethyl)-N'-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]pyrrolidine-1-carboximidamide
CID 111996401
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-N'-methyl-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119157692
N-ethyl-N'-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 109406145
N-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide
CID 119156119
N-ethyl-N'-[(1-methylcyclopropyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 119161331

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide (CID 119162570) is N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide is CCN/C(=N\CC1(C)CC1)N1CCC(CN2CCCC2)C1.
What is the InChIKey of N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide?
The InChIKey is QWNIFSKRLJASBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-3-18-16(19-14-17(2)7-8-17)21-11-6-15(13-21)12-20-9-4-5-10-20/h15H,3-14H2,1-2H3,(H,18,19).
What are the key properties of N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide?
N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide has a molecular weight of 292.47 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(1-methylcyclopropyl)methyl]-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 119162570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).