1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexane-1-carbaldehyde

C16H24N2O — CID 62276380

IUPAC1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCN(CCc1ccccn1)CC1(C=O)CCCCC1
InChIInChI=1S/C16H24N2O/c1-18(12-8-15-7-3-6-11-17-15)13-16(14-19)9-4-2-5-10-16/h3,6-7,11,14H,2,4-5,8-10,12-13H2,1H3
InChIKeyHYQVECJLAICCFI-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.71
Rot. Bonds6

About 1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexane-1-carbaldehyde

1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexane-1-carbaldehyde (PubChem CID 62276380) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexane-1-carbaldehyde
PubChem CID62276380
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCN(CCc1ccccn1)CC1(C=O)CCCCC1
InChIInChI=1S/C16H24N2O/c1-18(12-8-15-7-3-6-11-17-15)13-16(14-19)9-4-2-5-10-16/h3,6-7,11,14H,2,4-5,8-10,12-13H2,1H3
InChIKeyHYQVECJLAICCFI-UHFFFAOYSA-N
XLogP2.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopentan-1-ol
CID 65212670
1-(pyridin-2-ylmethyl)cyclobutane-1-carbaldehyde
CID 130680563
N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-pyridin-2-ylethanamine
CID 91831202
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 65479518
N-methyl-1-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]cyclohexan-1-amine
CID 65241177
2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile
CID 65494657
2-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopentan-1-amine
CID 82768381
4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]piperidin-4-ol
CID 55048388
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
(E)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)but-2-en-1-amine
CID 757307
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
1-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 43565091

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexane-1-carbaldehyde (CID 62276380) is 1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexane-1-carbaldehyde is CN(CCc1ccccn1)CC1(C=O)CCCCC1.
What is the InChIKey of 1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The InChIKey is HYQVECJLAICCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18(12-8-15-7-3-6-11-17-15)13-16(14-19)9-4-2-5-10-16/h3,6-7,11,14H,2,4-5,8-10,12-13H2,1H3.
What are the key properties of 1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexane-1-carbaldehyde?
1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexane-1-carbaldehyde has a molecular weight of 260.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 62276380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).