2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride

C7H16ClN5O — CID 69241496

IUPAC2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCl.NC(N)=NCC(=O)N[C@H]1CCNC1
InChIInChI=1S/C7H15N5O.ClH/c8-7(9)11-4-6(13)12-5-1-2-10-3-5;/h5,10H,1-4H2,(H,12,13)(H4,8,9,11);1H/t5-;/m0./s1
InChIKeyBQQIFPYECIGXSG-JEDNCBNOSA-N
MW221.69 g/mol
LogP-1.84
Rot. Bonds3

About 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride

2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride (PubChem CID 69241496) has the molecular formula C7H16ClN5O and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
PubChem CID69241496
Molecular FormulaC7H16ClN5O
Molecular Weight221.69 g/mol
Exact Mass221.10
IUPAC Name2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCl.NC(N)=NCC(=O)N[C@H]1CCNC1
InChIInChI=1S/C7H15N5O.ClH/c8-7(9)11-4-6(13)12-5-1-2-10-3-5;/h5,10H,1-4H2,(H,12,13)(H4,8,9,11);1H/t5-;/m0./s1
InChIKeyBQQIFPYECIGXSG-JEDNCBNOSA-N
XLogP-1.84
TPSA105.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
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-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;sulfuric acid
CID 11858357
2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 11858358
2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;dihydrochloride
CID 11858359
2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 58620294
2-(diaminomethylideneamino)-N-pyrrolidin-3-ylacetamide
CID 73129025
N-[1-amino-4-(diaminomethylideneamino)butan-2-yl]acetamide
CID 88310980
2-(diaminomethylideneamino)-N-[(2S)-1-(methylamino)butan-2-yl]acetamide
CID 89315102
2-(3-aminopyrrolidin-1-yl)-N'-methyl-2-oxoethanimidamide
CID 89418631
2-(3-aminopyrrolidin-1-yl)-N'-carbamimidoyl-2-oxoethanimidamide
CID 123716393
N-[1-(2-amino-2-carbamimidoyliminoacetyl)pyrrolidin-3-yl]acetamide
CID 123950956
2-(diaminomethylideneamino)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 140991929
2-(3-aminopyrrolidin-1-yl)-N-(diaminomethylidene)-2-oxoethanimidamide
CID 144535063

Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride?
The IUPAC name of 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride (CID 69241496) is 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride is Cl.NC(N)=NCC(=O)N[C@H]1CCNC1.
What is the InChIKey of 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride?
The InChIKey is BQQIFPYECIGXSG-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H15N5O.ClH/c8-7(9)11-4-6(13)12-5-1-2-10-3-5;/h5,10H,1-4H2,(H,12,13)(H4,8,9,11);1H/t5-;/m0./s1.
What are the key properties of 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride?
2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride has a molecular weight of 221.69 g/mol, XLogP of -1.84, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 69241496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).