2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propan-1-imine

C9H18N2 — CID 14836605

IUPAC2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propan-1-imine
SMILESCC(C)(C)/C=N/[C@@H]1CCNC1
InChIInChI=1S/C9H18N2/c1-9(2,3)7-11-8-4-5-10-6-8/h7-8,10H,4-6H2,1-3H3/b11-7+/t8-/m1/s1
InChIKeyMIMQEVRXLNVDIH-XAPLUZPNSA-N
MW154.26 g/mol
LogP1.47
Rot. Bonds1

About 2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propan-1-imine

2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propan-1-imine (PubChem CID 14836605) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propan-1-imine
PubChem CID14836605
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propan-1-imine
SMILESCC(C)(C)/C=N/[C@@H]1CCNC1
InChIInChI=1S/C9H18N2/c1-9(2,3)7-11-8-4-5-10-6-8/h7-8,10H,4-6H2,1-3H3/b11-7+/t8-/m1/s1
InChIKeyMIMQEVRXLNVDIH-XAPLUZPNSA-N
XLogP1.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.47
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

2,2-dimethyl-N-(4-methylsulfanylpyrrolidin-3-yl)propan-1-imine
CID 19694995
(3R)-3-isothiocyanatopyrrolidine
CID 167718544
2,2-dimethylpropanal;N-methylpyrrolidin-3-amine
CID 171505499
(3R)-3-(1,1-difluoroethyl)pyrrolidine
CID 154810011
2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane
CID 160675736
3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine
CID 146228066
tert-butyl-dimethyl-pyrrolidin-3-ylsilane
CID 23288427
(3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride
CID 67294223
piperidin-3-ol;propane-2,2-diol
CID 142962358
pyrrolidin-3-ol;yttrium
CID 171793712
pyrrolidin-3-ol;uranium
CID 143428396
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propan-1-imine?
The IUPAC name of 2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propan-1-imine (CID 14836605) is 2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propan-1-imine.
What is the SMILES notation for 2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propan-1-imine?
The canonical SMILES for 2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propan-1-imine is CC(C)(C)/C=N/[C@@H]1CCNC1.
What is the InChIKey of 2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propan-1-imine?
The InChIKey is MIMQEVRXLNVDIH-XAPLUZPNSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2,3)7-11-8-4-5-10-6-8/h7-8,10H,4-6H2,1-3H3/b11-7+/t8-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propan-1-imine?
2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propan-1-imine has a molecular weight of 154.26 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propan-1-imine is sourced from PubChem (CID 14836605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).