N'-amino-2-[2-amino-4-[(1S)-2-methylcyclopropyl]cyclopenten-1-yl]-2-iminoethanimidamide

C11H19N5 — CID 163779661

IUPACN'-amino-2-[2-amino-4-[(1S)-2-methylcyclopropyl]cyclopenten-1-yl]-2-iminoethanimidamide
SMILES[H]/N=C(\C(N)=NN)C1=C(N)CC([C@H]2CC2C)C1
InChIInChI=1S/C11H19N5/c1-5-2-7(5)6-3-8(9(12)4-6)10(13)11(14)16-15/h5-7,13H,2-4,12,15H2,1H3,(H2,14,16)/b13-10-/t5?,6?,7-/m0/s1
InChIKeyMNOISNJPJPOONC-UCOJEDMJSA-N
MW221.31 g/mol
LogP0.52
Rot. Bonds3

About N'-amino-2-[2-amino-4-[(1S)-2-methylcyclopropyl]cyclopenten-1-yl]-2-iminoethanimidamide

N'-amino-2-[2-amino-4-[(1S)-2-methylcyclopropyl]cyclopenten-1-yl]-2-iminoethanimidamide (PubChem CID 163779661) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is N'-amino-2-[2-amino-4-[(1S)-2-methylcyclopropyl]cyclopenten-1-yl]-2-iminoethanimidamide.

Molecular Properties

Compound NameN'-amino-2-[2-amino-4-[(1S)-2-methylcyclopropyl]cyclopenten-1-yl]-2-iminoethanimidamide
PubChem CID163779661
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC NameN'-amino-2-[2-amino-4-[(1S)-2-methylcyclopropyl]cyclopenten-1-yl]-2-iminoethanimidamide
SMILES[H]/N=C(\C(N)=NN)C1=C(N)CC([C@H]2CC2C)C1
InChIInChI=1S/C11H19N5/c1-5-2-7(5)6-3-8(9(12)4-6)10(13)11(14)16-15/h5-7,13H,2-4,12,15H2,1H3,(H2,14,16)/b13-10-/t5?,6?,7-/m0/s1
InChIKeyMNOISNJPJPOONC-UCOJEDMJSA-N
XLogP0.52
TPSA114.27 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-2-[2-amino-4-[(1S)-2-methylcyclopropyl]cyclopenten-1-yl]-2-iminoethanimidamide?
The IUPAC name of N'-amino-2-[2-amino-4-[(1S)-2-methylcyclopropyl]cyclopenten-1-yl]-2-iminoethanimidamide (CID 163779661) is N'-amino-2-[2-amino-4-[(1S)-2-methylcyclopropyl]cyclopenten-1-yl]-2-iminoethanimidamide.
What is the SMILES notation for N'-amino-2-[2-amino-4-[(1S)-2-methylcyclopropyl]cyclopenten-1-yl]-2-iminoethanimidamide?
The canonical SMILES for N'-amino-2-[2-amino-4-[(1S)-2-methylcyclopropyl]cyclopenten-1-yl]-2-iminoethanimidamide is [H]/N=C(\C(N)=NN)C1=C(N)CC([C@H]2CC2C)C1.
What is the InChIKey of N'-amino-2-[2-amino-4-[(1S)-2-methylcyclopropyl]cyclopenten-1-yl]-2-iminoethanimidamide?
The InChIKey is MNOISNJPJPOONC-UCOJEDMJSA-N. The full InChI is InChI=1S/C11H19N5/c1-5-2-7(5)6-3-8(9(12)4-6)10(13)11(14)16-15/h5-7,13H,2-4,12,15H2,1H3,(H2,14,16)/b13-10-/t5?,6?,7-/m0/s1.
What are the key properties of N'-amino-2-[2-amino-4-[(1S)-2-methylcyclopropyl]cyclopenten-1-yl]-2-iminoethanimidamide?
N'-amino-2-[2-amino-4-[(1S)-2-methylcyclopropyl]cyclopenten-1-yl]-2-iminoethanimidamide has a molecular weight of 221.31 g/mol, XLogP of 0.52, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-[2-amino-4-[(1S)-2-methylcyclopropyl]cyclopenten-1-yl]-2-iminoethanimidamide is sourced from PubChem (CID 163779661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).