trans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde

C8H15NO — CID 59356674

IUPACtrans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde
SMILESCN(C)[C@@H]1CCC[C@@H]1C=O
InChIInChI=1S/C8H15NO/c1-9(2)8-5-3-4-7(8)6-10/h6-8H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyIGDFEEPDPARZAJ-HTQZYQBOSA-N
MW141.21 g/mol
LogP0.92
Rot. Bonds2

About trans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde

trans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde (PubChem CID 59356674) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is trans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde
PubChem CID59356674
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nametrans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde
SMILESCN(C)[C@@H]1CCC[C@@H]1C=O
InChIInChI=1S/C8H15NO/c1-9(2)8-5-3-4-7(8)6-10/h6-8H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyIGDFEEPDPARZAJ-HTQZYQBOSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)cyclopentyl]formamide
CID 23349737
N,N,2-trimethylcyclopentan-1-amine
CID 23553747
(2S)-2-dimethylphosphanylcyclopentane-1-carbaldehyde
CID 59961076
5-[(E)-3-[2-(dimethylamino)cyclohexyl]prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 140667975
cis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine
CID 55281587
(2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine
CID 158852291
trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde
CID 131854449
methoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde
CID 142164429
(E)-but-2-enedioic acid;trans-(1S,2S)-2-(dimethylamino)cyclopentan-1-ol
CID 70589053
cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde
CID 59901887
2-[(2R)-2-formylcyclopentyl]acetic acid
CID 130646280
(2R)-3-(dimethylamino)cyclohexane-1,2-diol;3-(dimethylamino)cyclohexane-1,2-diol
CID 157254014

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde?
The IUPAC name of trans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde (CID 59356674) is trans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde.
What is the SMILES notation for trans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde?
The canonical SMILES for trans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde is CN(C)[C@@H]1CCC[C@@H]1C=O.
What is the InChIKey of trans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde?
The InChIKey is IGDFEEPDPARZAJ-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15NO/c1-9(2)8-5-3-4-7(8)6-10/h6-8H,3-5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of trans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde?
trans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde has a molecular weight of 141.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 59356674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).