(3S)-1-methanidyl-N-methyl-N-propan-2-ylpyrrolidin-3-amine

C9H19N2- — CID 59704405

IUPAC(3S)-1-methanidyl-N-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILES[CH2-]N1CC[C@H](N(C)C(C)C)C1
InChIInChI=1S/C9H19N2/c1-8(2)11(4)9-5-6-10(3)7-9/h8-9H,3,5-7H2,1-2,4H3/q-1/t9-/m0/s1
InChIKeyBATCSMZKQSOPCR-VIFPVBQESA-N
MW155.26 g/mol
LogP1.19
Rot. Bonds2

About (3S)-1-methanidyl-N-methyl-N-propan-2-ylpyrrolidin-3-amine

(3S)-1-methanidyl-N-methyl-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 59704405) has the molecular formula C9H19N2- and a molecular weight of 155.26 g/mol. Its IUPAC name is (3S)-1-methanidyl-N-methyl-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-methanidyl-N-methyl-N-propan-2-ylpyrrolidin-3-amine
PubChem CID59704405
Molecular FormulaC9H19N2-
Molecular Weight155.26 g/mol
Exact Mass155.16
IUPAC Name(3S)-1-methanidyl-N-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILES[CH2-]N1CC[C@H](N(C)C(C)C)C1
InChIInChI=1S/C9H19N2/c1-8(2)11(4)9-5-6-10(3)7-9/h8-9H,3,5-7H2,1-2,4H3/q-1/t9-/m0/s1
InChIKeyBATCSMZKQSOPCR-VIFPVBQESA-N
XLogP1.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.26
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methanidyl-N-methyl-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-methanidyl-N-methyl-N-propan-2-ylpyrrolidin-3-amine (CID 59704405) is (3S)-1-methanidyl-N-methyl-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-methanidyl-N-methyl-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-methanidyl-N-methyl-N-propan-2-ylpyrrolidin-3-amine is [CH2-]N1CC[C@H](N(C)C(C)C)C1.
What is the InChIKey of (3S)-1-methanidyl-N-methyl-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is BATCSMZKQSOPCR-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19N2/c1-8(2)11(4)9-5-6-10(3)7-9/h8-9H,3,5-7H2,1-2,4H3/q-1/t9-/m0/s1.
What are the key properties of (3S)-1-methanidyl-N-methyl-N-propan-2-ylpyrrolidin-3-amine?
(3S)-1-methanidyl-N-methyl-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 155.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methanidyl-N-methyl-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 59704405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).