2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-propylacetamide

C13H27N5O — CID 111032192

IUPAC2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\N)NCC1CCCN1CC
InChIInChI=1S/C13H27N5O/c1-3-7-15-12(19)10-17-13(14)16-9-11-6-5-8-18(11)4-2/h11H,3-10H2,1-2H3,(H,15,19)(H3,14,16,17)
InChIKeyGPGTUFQMGMDNMR-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.10
Rot. Bonds7

About 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-propylacetamide

2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-propylacetamide (PubChem CID 111032192) has the molecular formula C13H27N5O and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-propylacetamide
PubChem CID111032192
Molecular FormulaC13H27N5O
Molecular Weight269.39 g/mol
Exact Mass269.22
IUPAC Name2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C(\N)NCC1CCCN1CC
InChIInChI=1S/C13H27N5O/c1-3-7-15-12(19)10-17-13(14)16-9-11-6-5-8-18(11)4-2/h11H,3-10H2,1-2H3,(H,15,19)(H3,14,16,17)
InChIKeyGPGTUFQMGMDNMR-UHFFFAOYSA-N
XLogP-0.10
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111083941
2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035936
2-[(2-ethylphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111817670
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine
CID 111970324
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111065950
tert-butyl 4-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111063039
2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 110913403
ethyl N-[1-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-4-methylpentan-2-yl]carbamate;hydroiodide
CID 111069589
2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111025935
tert-butyl N-[1-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-2-methylpropan-2-yl]carbamate;hydroiodide
CID 111757718
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-propylacetamide?
The IUPAC name of 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-propylacetamide (CID 111032192) is 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-propylacetamide?
The canonical SMILES for 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-propylacetamide is CCCNC(=O)C/N=C(\N)NCC1CCCN1CC.
What is the InChIKey of 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-propylacetamide?
The InChIKey is GPGTUFQMGMDNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O/c1-3-7-15-12(19)10-17-13(14)16-9-11-6-5-8-18(11)4-2/h11H,3-10H2,1-2H3,(H,15,19)(H3,14,16,17).
What are the key properties of 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-propylacetamide?
2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-propylacetamide has a molecular weight of 269.39 g/mol, XLogP of -0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-propylacetamide is sourced from PubChem (CID 111032192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).