(3S)-1-[(Z)-2-methyl-3-(2-methylhydrazinyl)prop-2-enimidoyl]pyrrolidin-3-amine

C9H19N5 — CID 136635762

IUPAC(3S)-1-[(Z)-2-methyl-3-(2-methylhydrazinyl)prop-2-enimidoyl]pyrrolidin-3-amine
SMILES[H]/N=C(C(\C)=C/NNC)/N1CC[C@H](N)C1
InChIInChI=1S/C9H19N5/c1-7(5-13-12-2)9(11)14-4-3-8(10)6-14/h5,8,11-13H,3-4,6,10H2,1-2H3/b7-5-,11-9+/t8-/m0/s1
InChIKeyZIOYTEKKZVMTCM-RXWBQAFBSA-N
MW197.29 g/mol
LogP-0.38
Rot. Bonds3

About (3S)-1-[(Z)-2-methyl-3-(2-methylhydrazinyl)prop-2-enimidoyl]pyrrolidin-3-amine

(3S)-1-[(Z)-2-methyl-3-(2-methylhydrazinyl)prop-2-enimidoyl]pyrrolidin-3-amine (PubChem CID 136635762) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is (3S)-1-[(Z)-2-methyl-3-(2-methylhydrazinyl)prop-2-enimidoyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(Z)-2-methyl-3-(2-methylhydrazinyl)prop-2-enimidoyl]pyrrolidin-3-amine
PubChem CID136635762
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name(3S)-1-[(Z)-2-methyl-3-(2-methylhydrazinyl)prop-2-enimidoyl]pyrrolidin-3-amine
SMILES[H]/N=C(C(\C)=C/NNC)/N1CC[C@H](N)C1
InChIInChI=1S/C9H19N5/c1-7(5-13-12-2)9(11)14-4-3-8(10)6-14/h5,8,11-13H,3-4,6,10H2,1-2H3/b7-5-,11-9+/t8-/m0/s1
InChIKeyZIOYTEKKZVMTCM-RXWBQAFBSA-N
XLogP-0.38
TPSA77.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (3S)-1-[(Z)-2-methyl-3-(2-methylhydrazinyl)prop-2-enimidoyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[(Z)-2-methyl-3-(2-methylhydrazinyl)prop-2-enimidoyl]pyrrolidin-3-amine (CID 136635762) is (3S)-1-[(Z)-2-methyl-3-(2-methylhydrazinyl)prop-2-enimidoyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[(Z)-2-methyl-3-(2-methylhydrazinyl)prop-2-enimidoyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[(Z)-2-methyl-3-(2-methylhydrazinyl)prop-2-enimidoyl]pyrrolidin-3-amine is [H]/N=C(C(\C)=C/NNC)/N1CC[C@H](N)C1.
What is the InChIKey of (3S)-1-[(Z)-2-methyl-3-(2-methylhydrazinyl)prop-2-enimidoyl]pyrrolidin-3-amine?
The InChIKey is ZIOYTEKKZVMTCM-RXWBQAFBSA-N. The full InChI is InChI=1S/C9H19N5/c1-7(5-13-12-2)9(11)14-4-3-8(10)6-14/h5,8,11-13H,3-4,6,10H2,1-2H3/b7-5-,11-9+/t8-/m0/s1.
What are the key properties of (3S)-1-[(Z)-2-methyl-3-(2-methylhydrazinyl)prop-2-enimidoyl]pyrrolidin-3-amine?
(3S)-1-[(Z)-2-methyl-3-(2-methylhydrazinyl)prop-2-enimidoyl]pyrrolidin-3-amine has a molecular weight of 197.29 g/mol, XLogP of -0.38, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(Z)-2-methyl-3-(2-methylhydrazinyl)prop-2-enimidoyl]pyrrolidin-3-amine is sourced from PubChem (CID 136635762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).