1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde

C15H27NO — CID 62275706

IUPAC1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCC1CCC(N(C)CC2(C=O)CCCC2)CC1
InChIInChI=1S/C15H27NO/c1-13-5-7-14(8-6-13)16(2)11-15(12-17)9-3-4-10-15/h12-14H,3-11H2,1-2H3
InChIKeyRJSQQPDKYMCYIK-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.26
Rot. Bonds4

About 1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde

1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde (PubChem CID 62275706) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde
PubChem CID62275706
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCC1CCC(N(C)CC2(C=O)CCCC2)CC1
InChIInChI=1S/C15H27NO/c1-13-5-7-14(8-6-13)16(2)11-15(12-17)9-3-4-10-15/h12-14H,3-11H2,1-2H3
InChIKeyRJSQQPDKYMCYIK-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.26
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

1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde
CID 82743523
1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276800
1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62275816
N,4-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine
CID 63495608
N,4-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]cyclohexan-1-amine
CID 63495234
1-[[methyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62277518
1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276243
1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde
CID 114953362
1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62278291
1-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-4-methylcyclohexane-1-carbaldehyde
CID 104554521
3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde
CID 63742033
4-methyl-1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 79858374

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde (CID 62275706) is 1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde is CC1CCC(N(C)CC2(C=O)CCCC2)CC1.
What is the InChIKey of 1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde?
The InChIKey is RJSQQPDKYMCYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-13-5-7-14(8-6-13)16(2)11-15(12-17)9-3-4-10-15/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde?
1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde has a molecular weight of 237.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 62275706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).