3-(2-iminopyrrolidin-1-yl)-N-methylpropan-1-amine

C8H17N3 — CID 134852690

IUPAC3-(2-iminopyrrolidin-1-yl)-N-methylpropan-1-amine
SMILES[H]/N=C1\CCCN1CCCNC
InChIInChI=1S/C8H17N3/c1-10-5-3-7-11-6-2-4-8(11)9/h9-10H,2-7H2,1H3/b9-8+
InChIKeyFAKZLXWOKSRRHW-CMDGGOBGSA-N
MW155.25 g/mol
LogP0.67
Rot. Bonds4

About 3-(2-iminopyrrolidin-1-yl)-N-methylpropan-1-amine

3-(2-iminopyrrolidin-1-yl)-N-methylpropan-1-amine (PubChem CID 134852690) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 3-(2-iminopyrrolidin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-iminopyrrolidin-1-yl)-N-methylpropan-1-amine
PubChem CID134852690
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name3-(2-iminopyrrolidin-1-yl)-N-methylpropan-1-amine
SMILES[H]/N=C1\CCCN1CCCNC
InChIInChI=1S/C8H17N3/c1-10-5-3-7-11-6-2-4-8(11)9/h9-10H,2-7H2,1H3/b9-8+
InChIKeyFAKZLXWOKSRRHW-CMDGGOBGSA-N
XLogP0.67
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-iminopyrrolidin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2-iminopyrrolidin-1-yl)-N-methylpropan-1-amine (CID 134852690) is 3-(2-iminopyrrolidin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2-iminopyrrolidin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2-iminopyrrolidin-1-yl)-N-methylpropan-1-amine is [H]/N=C1\CCCN1CCCNC.
What is the InChIKey of 3-(2-iminopyrrolidin-1-yl)-N-methylpropan-1-amine?
The InChIKey is FAKZLXWOKSRRHW-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H17N3/c1-10-5-3-7-11-6-2-4-8(11)9/h9-10H,2-7H2,1H3/b9-8+.
What are the key properties of 3-(2-iminopyrrolidin-1-yl)-N-methylpropan-1-amine?
3-(2-iminopyrrolidin-1-yl)-N-methylpropan-1-amine has a molecular weight of 155.25 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iminopyrrolidin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 134852690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).