(Z,2Z)-4-amino-2-[amino-(3-aminopyrrolidin-1-yl)methylidene]-N-[amino(cyclopropyl)methyl]pent-3-enamide

C14H26N6O — CID 139324411

IUPAC(Z,2Z)-4-amino-2-[amino-(3-aminopyrrolidin-1-yl)methylidene]-N-[amino(cyclopropyl)methyl]pent-3-enamide
SMILESC/C(N)=C/C(C(=O)NC(N)C1CC1)=C(\N)N1CCC(N)C1
InChIInChI=1S/C14H26N6O/c1-8(15)6-11(13(18)20-5-4-10(16)7-20)14(21)19-12(17)9-2-3-9/h6,9-10,12H,2-5,7,15-18H2,1H3,(H,19,21)/b8-6-,13-11-
InChIKeyRRNFVAFVJXLKQU-MJQGXCIASA-N
MW294.40 g/mol
LogP-1.14
Rot. Bonds5

About (Z,2Z)-4-amino-2-[amino-(3-aminopyrrolidin-1-yl)methylidene]-N-[amino(cyclopropyl)methyl]pent-3-enamide

(Z,2Z)-4-amino-2-[amino-(3-aminopyrrolidin-1-yl)methylidene]-N-[amino(cyclopropyl)methyl]pent-3-enamide (PubChem CID 139324411) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is (Z,2Z)-4-amino-2-[amino-(3-aminopyrrolidin-1-yl)methylidene]-N-[amino(cyclopropyl)methyl]pent-3-enamide.

Molecular Properties

Compound Name(Z,2Z)-4-amino-2-[amino-(3-aminopyrrolidin-1-yl)methylidene]-N-[amino(cyclopropyl)methyl]pent-3-enamide
PubChem CID139324411
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name(Z,2Z)-4-amino-2-[amino-(3-aminopyrrolidin-1-yl)methylidene]-N-[amino(cyclopropyl)methyl]pent-3-enamide
SMILESC/C(N)=C/C(C(=O)NC(N)C1CC1)=C(\N)N1CCC(N)C1
InChIInChI=1S/C14H26N6O/c1-8(15)6-11(13(18)20-5-4-10(16)7-20)14(21)19-12(17)9-2-3-9/h6,9-10,12H,2-5,7,15-18H2,1H3,(H,19,21)/b8-6-,13-11-
InChIKeyRRNFVAFVJXLKQU-MJQGXCIASA-N
XLogP-1.14
TPSA136.42 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-1.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z,2Z)-4-amino-N-(1-aminoethyl)-2-[amino-(3-ethylpiperidin-1-yl)methylidene]pent-3-enamide
CID 139324562
1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 81469316
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
(3S)-3-aminopyrrolidine-1-carboxamide
CID 59841091
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride
CID 119409783
N-[1-(3-aminopyrrolidin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide
CID 107769417
1-(3-aminopiperidin-1-yl)-3-methylbut-2-en-1-one
CID 61295908
(E)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylsulfanylprop-2-en-1-one
CID 131234158
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid
CID 62067755
2-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 130620193
1-[(3S)-3-aminopyrrolidin-1-yl]-2,2-difluoroethanone
CID 103514259

Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-4-amino-2-[amino-(3-aminopyrrolidin-1-yl)methylidene]-N-[amino(cyclopropyl)methyl]pent-3-enamide?
The IUPAC name of (Z,2Z)-4-amino-2-[amino-(3-aminopyrrolidin-1-yl)methylidene]-N-[amino(cyclopropyl)methyl]pent-3-enamide (CID 139324411) is (Z,2Z)-4-amino-2-[amino-(3-aminopyrrolidin-1-yl)methylidene]-N-[amino(cyclopropyl)methyl]pent-3-enamide.
What is the SMILES notation for (Z,2Z)-4-amino-2-[amino-(3-aminopyrrolidin-1-yl)methylidene]-N-[amino(cyclopropyl)methyl]pent-3-enamide?
The canonical SMILES for (Z,2Z)-4-amino-2-[amino-(3-aminopyrrolidin-1-yl)methylidene]-N-[amino(cyclopropyl)methyl]pent-3-enamide is C/C(N)=C/C(C(=O)NC(N)C1CC1)=C(\N)N1CCC(N)C1.
What is the InChIKey of (Z,2Z)-4-amino-2-[amino-(3-aminopyrrolidin-1-yl)methylidene]-N-[amino(cyclopropyl)methyl]pent-3-enamide?
The InChIKey is RRNFVAFVJXLKQU-MJQGXCIASA-N. The full InChI is InChI=1S/C14H26N6O/c1-8(15)6-11(13(18)20-5-4-10(16)7-20)14(21)19-12(17)9-2-3-9/h6,9-10,12H,2-5,7,15-18H2,1H3,(H,19,21)/b8-6-,13-11-.
What are the key properties of (Z,2Z)-4-amino-2-[amino-(3-aminopyrrolidin-1-yl)methylidene]-N-[amino(cyclopropyl)methyl]pent-3-enamide?
(Z,2Z)-4-amino-2-[amino-(3-aminopyrrolidin-1-yl)methylidene]-N-[amino(cyclopropyl)methyl]pent-3-enamide has a molecular weight of 294.40 g/mol, XLogP of -1.14, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-4-amino-2-[amino-(3-aminopyrrolidin-1-yl)methylidene]-N-[amino(cyclopropyl)methyl]pent-3-enamide is sourced from PubChem (CID 139324411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).