4-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pentan-2-imine

C11H22N2 — CID 58010765

IUPAC4-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pentan-2-imine
SMILESC/C(CC(C)C)=N\C[C@@H]1CCNC1
InChIInChI=1S/C11H22N2/c1-9(2)6-10(3)13-8-11-4-5-12-7-11/h9,11-12H,4-8H2,1-3H3/b13-10+/t11-/m1/s1
InChIKeyWQDWVXAZQYBLFV-BVRAVYJCSA-N
MW182.31 g/mol
LogP2.10
Rot. Bonds4

About 4-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pentan-2-imine

4-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pentan-2-imine (PubChem CID 58010765) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pentan-2-imine.

Molecular Properties

Compound Name4-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pentan-2-imine
PubChem CID58010765
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pentan-2-imine
SMILESC/C(CC(C)C)=N\C[C@@H]1CCNC1
InChIInChI=1S/C11H22N2/c1-9(2)6-10(3)13-8-11-4-5-12-7-11/h9,11-12H,4-8H2,1-3H3/b13-10+/t11-/m1/s1
InChIKeyWQDWVXAZQYBLFV-BVRAVYJCSA-N
XLogP2.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5,9-Triazacyclododec-1-ene, 2,4,4-trimethyl-
CID 6395702
1,6,6,8-Tetramethyl-1,5,9-triazacyclododec-8-ene
CID 6395707
(4-Methyliminopyrrolidin-1-ium-3-yl)methylazanium
CID 20633763
(4-Methyliminopyrrolidin-3-yl)methanamine
CID 20633764
4-ethyl-N-methylpyrrolidin-3-imine
CID 58961674
N,4-dimethylpyrrolidin-3-imine
CID 59024451
4-Methylpyrrolidin-3-imine
CID 70149418
N-Methyl-3-[(E)-(4-methylpentan-2-ylidene)amino]propan-1-amine
CID 71402849
N-ethyl-4-methylpyrrolidin-3-imine
CID 90948336
4-(C,N-dimethylcarbonimidoyl)-N-methylpyrrolidin-3-imine
CID 91091672
(1-Methyl-4-methyliminopyrrolidin-3-yl)methanamine
CID 91278205
N-ethyl-1-(4-methylpyrrolidin-3-yl)ethanimine
CID 123172103

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pentan-2-imine?
The IUPAC name of 4-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pentan-2-imine (CID 58010765) is 4-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pentan-2-imine.
What is the SMILES notation for 4-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pentan-2-imine?
The canonical SMILES for 4-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pentan-2-imine is C/C(CC(C)C)=N\C[C@@H]1CCNC1.
What is the InChIKey of 4-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pentan-2-imine?
The InChIKey is WQDWVXAZQYBLFV-BVRAVYJCSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)6-10(3)13-8-11-4-5-12-7-11/h9,11-12H,4-8H2,1-3H3/b13-10+/t11-/m1/s1.
What are the key properties of 4-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pentan-2-imine?
4-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pentan-2-imine has a molecular weight of 182.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pentan-2-imine is sourced from PubChem (CID 58010765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).