1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde

C16H29NO2 — CID 114953362

IUPAC1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde
SMILESCN(CC1(O)CCCC1)CC1(C=O)CCCCCC1
InChIInChI=1S/C16H29NO2/c1-17(13-16(19)10-6-7-11-16)12-15(14-18)8-4-2-3-5-9-15/h14,19H,2-13H2,1H3
InChIKeyKVKGHOCMLAEODD-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.76
Rot. Bonds5

About 1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde

1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde (PubChem CID 114953362) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde
PubChem CID114953362
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde
SMILESCN(CC1(O)CCCC1)CC1(C=O)CCCCCC1
InChIInChI=1S/C16H29NO2/c1-17(13-16(19)10-6-7-11-16)12-15(14-18)8-4-2-3-5-9-15/h14,19H,2-13H2,1H3
InChIKeyKVKGHOCMLAEODD-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
CID 114953386
1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 62336784
1-[[5-hydroxypentyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 107204515
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62278291
1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 112664517
1-[(dimethylamino)methyl]cycloheptan-1-ol
CID 104550048
1-[[methyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62277518
1-[[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]methyl]cyclopentan-1-ol
CID 114953493
1-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-ol
CID 65212839
1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62275706
1-[[bis(2-methoxyethyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 62275891

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde?
The IUPAC name of 1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde (CID 114953362) is 1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde.
What is the SMILES notation for 1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde?
The canonical SMILES for 1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde is CN(CC1(O)CCCC1)CC1(C=O)CCCCCC1.
What is the InChIKey of 1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde?
The InChIKey is KVKGHOCMLAEODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-17(13-16(19)10-6-7-11-16)12-15(14-18)8-4-2-3-5-9-15/h14,19H,2-13H2,1H3.
What are the key properties of 1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde?
1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde has a molecular weight of 267.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde is sourced from PubChem (CID 114953362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).