1-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]cyclohexane-1-carbaldehyde

C15H29NO2 — CID 55052034

IUPAC1-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCCC(CC)N(CCO)CC1(C=O)CCCCC1
InChIInChI=1S/C15H29NO2/c1-3-14(4-2)16(10-11-17)12-15(13-18)8-6-5-7-9-15/h13-14,17H,3-12H2,1-2H3
InChIKeyJYEQKYVRIXMOSU-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.62
Rot. Bonds8

About 1-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]cyclohexane-1-carbaldehyde

1-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]cyclohexane-1-carbaldehyde (PubChem CID 55052034) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]cyclohexane-1-carbaldehyde
PubChem CID55052034
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCCC(CC)N(CCO)CC1(C=O)CCCCC1
InChIInChI=1S/C15H29NO2/c1-3-14(4-2)16(10-11-17)12-15(13-18)8-6-5-7-9-15/h13-14,17H,3-12H2,1-2H3
InChIKeyJYEQKYVRIXMOSU-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]cyclohexane-1-carbaldehyde (CID 55052034) is 1-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]cyclohexane-1-carbaldehyde is CCC(CC)N(CCO)CC1(C=O)CCCCC1.
What is the InChIKey of 1-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]cyclohexane-1-carbaldehyde?
The InChIKey is JYEQKYVRIXMOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-14(4-2)16(10-11-17)12-15(13-18)8-6-5-7-9-15/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 1-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]cyclohexane-1-carbaldehyde?
1-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]cyclohexane-1-carbaldehyde has a molecular weight of 255.40 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 55052034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).