1-heptan-2-ylpyrrolidin-2-imine

C11H22N2 — CID 61464901

IUPAC1-heptan-2-ylpyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C(C)CCCCC
InChIInChI=1S/C11H22N2/c1-3-4-5-7-10(2)13-9-6-8-11(13)12/h10,12H,3-9H2,1-2H3/b12-11+
InChIKeyKCSVCEGCEGLHEM-VAWYXSNFSA-N
MW182.31 g/mol
LogP3.03
Rot. Bonds5

About 1-heptan-2-ylpyrrolidin-2-imine

1-heptan-2-ylpyrrolidin-2-imine (PubChem CID 61464901) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-heptan-2-ylpyrrolidin-2-imine.

Molecular Properties

Compound Name1-heptan-2-ylpyrrolidin-2-imine
PubChem CID61464901
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-heptan-2-ylpyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C(C)CCCCC
InChIInChI=1S/C11H22N2/c1-3-4-5-7-10(2)13-9-6-8-11(13)12/h10,12H,3-9H2,1-2H3/b12-11+
InChIKeyKCSVCEGCEGLHEM-VAWYXSNFSA-N
XLogP3.03
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4,4-dimethylpentan-2-yl)piperidin-2-imine
CID 131021011
1-(1-methylsulfonylpropan-2-yl)piperidin-2-imine
CID 64643405
2-(2-iminopyrrolidin-1-yl)-N-propylpropanamide
CID 61480079
1-dodecan-2-ylpyrrolidine
CID 70871228
1-(dicyclopropylmethyl)pyrrolidin-2-imine
CID 61482452
1-[(2S)-pentan-2-yl]pyrrolidin-2-one
CID 102393193
1-heptan-2-ylpyrrolidine-2,4-dione
CID 79515392
1-decan-3-ylpyrrolidin-2-one
CID 175032444
1-hexan-2-ylpyrrolidine-2,3-dione
CID 62200791
2-octan-2-yl-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944410
1-benzhydrylpyrrolidin-2-imine
CID 43167156
1-(1-thiophen-3-ylethyl)piperidin-2-imine
CID 62842256

Frequently Asked Questions

What is the IUPAC name of 1-heptan-2-ylpyrrolidin-2-imine?
The IUPAC name of 1-heptan-2-ylpyrrolidin-2-imine (CID 61464901) is 1-heptan-2-ylpyrrolidin-2-imine.
What is the SMILES notation for 1-heptan-2-ylpyrrolidin-2-imine?
The canonical SMILES for 1-heptan-2-ylpyrrolidin-2-imine is [H]/N=C1\CCCN1C(C)CCCCC.
What is the InChIKey of 1-heptan-2-ylpyrrolidin-2-imine?
The InChIKey is KCSVCEGCEGLHEM-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-4-5-7-10(2)13-9-6-8-11(13)12/h10,12H,3-9H2,1-2H3/b12-11+.
What are the key properties of 1-heptan-2-ylpyrrolidin-2-imine?
1-heptan-2-ylpyrrolidin-2-imine has a molecular weight of 182.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-2-ylpyrrolidin-2-imine is sourced from PubChem (CID 61464901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).