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

C7H15N5O — CID 11858358

IUPAC2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESNC(N)=NCC(=O)N[C@H]1CCNC1
InChIInChI=1S/C7H15N5O/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)/t5-/m0/s1
InChIKeyBLHOQQPCFDSPDO-YFKPBYRVSA-N
MW185.23 g/mol
LogP-2.26
Rot. Bonds3

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

2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide (PubChem CID 11858358) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide
PubChem CID11858358
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC Name2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESNC(N)=NCC(=O)N[C@H]1CCNC1
InChIInChI=1S/C7H15N5O/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)/t5-/m0/s1
InChIKeyBLHOQQPCFDSPDO-YFKPBYRVSA-N
XLogP-2.26
TPSA105.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-2.26
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;dihydrochloride
CID 11858359
2-amino-N-pyrrolidin-3-ylacetamide
CID 23074039
2-(1-aminoethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 58620294
2-(diaminomethylideneamino)-N-propan-2-ylacetamide
CID 60047902
2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 69241496
2-(diaminomethylideneamino)-N-pyrrolidin-3-ylacetamide
CID 73129025
N-[1-amino-4-(diaminomethylideneamino)butan-2-yl]acetamide
CID 88310980
2-amino-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 89092252
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

Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide (CID 11858358) is 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide is NC(N)=NCC(=O)N[C@H]1CCNC1.
What is the InChIKey of 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide?
The InChIKey is BLHOQQPCFDSPDO-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H15N5O/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)/t5-/m0/s1.
What are the key properties of 2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide?
2-(diaminomethylideneamino)-N-[(3S)-pyrrolidin-3-yl]acetamide has a molecular weight of 185.23 g/mol, XLogP of -2.26, 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 is sourced from PubChem (CID 11858358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).