2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol

C15H29NO2 — CID 62609745

IUPAC2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol
SMILESCCN(CC1CCCO1)CC1CCCCCC1O
InChIInChI=1S/C15H29NO2/c1-2-16(12-14-8-6-10-18-14)11-13-7-4-3-5-9-15(13)17/h13-15,17H,2-12H2,1H3
InChIKeyKUNOODIGGKJDPQ-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.43
Rot. Bonds5

About 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol

2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol (PubChem CID 62609745) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol
PubChem CID62609745
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol
SMILESCCN(CC1CCCO1)CC1CCCCCC1O
InChIInChI=1S/C15H29NO2/c1-2-16(12-14-8-6-10-18-14)11-13-7-4-3-5-9-15(13)17/h13-15,17H,2-12H2,1H3
InChIKeyKUNOODIGGKJDPQ-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2S)-4-methoxy-1-methylpyrrolidin-2-yl]-2-methylbutan-1-ol
CID 59953233
3-[[5-(Methoxymethyl)-1-methylpyrrolidin-3-yl]methyl]cyclobutan-1-ol
CID 138569426
(3R,4S)-4-(cycloheptylmethyl)-1-methylpyrrolidin-3-ol
CID 145748014
1-(4-Methoxy-1-methylpyrrolidin-2-yl)-2-methylbutan-1-ol
CID 20647905
(2S,3R,4S)-2-(hydroxymethyl)-1-methyl-4-octylpyrrolidin-3-ol
CID 44129931
[1-[[Ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexyl]methanol
CID 55055183
2-[[2-Methoxyethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol
CID 55094347
2-[[Methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 55094486
2-[[2-Methoxyethyl(3-methoxypropyl)amino]methyl]cycloheptan-1-ol
CID 55094579
2-[[Ethyl(1-methoxypropan-2-yl)amino]methyl]cycloheptan-1-ol
CID 55094769
2-[[Methyl(oxan-2-ylmethyl)amino]methyl]cycloheptan-1-ol
CID 55094817
2-[[2-Methoxyethyl(2-methylpropyl)amino]methyl]cycloheptan-1-ol
CID 55094866

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol (CID 62609745) is 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol is CCN(CC1CCCO1)CC1CCCCCC1O.
What is the InChIKey of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is KUNOODIGGKJDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-16(12-14-8-6-10-18-14)11-13-7-4-3-5-9-15(13)17/h13-15,17H,2-12H2,1H3.
What are the key properties of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol?
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 62609745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).