2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol

C14H29NO2 — CID 55094769

IUPAC2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol
SMILESCCN(CC1CCCCCC1O)C(C)COC
InChIInChI=1S/C14H29NO2/c1-4-15(12(2)11-17-3)10-13-8-6-5-7-9-14(13)16/h12-14,16H,4-11H2,1-3H3
InChIKeyBIAAHPNPOZJPOF-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.28
Rot. Bonds6

About 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol

2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol (PubChem CID 55094769) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol
PubChem CID55094769
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol
SMILESCCN(CC1CCCCCC1O)C(C)COC
InChIInChI=1S/C14H29NO2/c1-4-15(12(2)11-17-3)10-13-8-6-5-7-9-14(13)16/h12-14,16H,4-11H2,1-3H3
InChIKeyBIAAHPNPOZJPOF-UHFFFAOYSA-N
XLogP2.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol (CID 55094769) is 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol is CCN(CC1CCCCCC1O)C(C)COC.
What is the InChIKey of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol?
The InChIKey is BIAAHPNPOZJPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-15(12(2)11-17-3)10-13-8-6-5-7-9-14(13)16/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol?
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 55094769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).