methyl 1-(ethylamino)cyclododecane-1-carboxylate

C16H31NO2 — CID 60788037

IUPACmethyl 1-(ethylamino)cyclododecane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCCCCCCCCC1
InChIInChI=1S/C16H31NO2/c1-3-17-16(15(18)19-2)13-11-9-7-5-4-6-8-10-12-14-16/h17H,3-14H2,1-2H3
InChIKeySDNVXBSMGOKLDE-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.81
Rot. Bonds3

About methyl 1-(ethylamino)cyclododecane-1-carboxylate

methyl 1-(ethylamino)cyclododecane-1-carboxylate (PubChem CID 60788037) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is methyl 1-(ethylamino)cyclododecane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)cyclododecane-1-carboxylate
PubChem CID60788037
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Namemethyl 1-(ethylamino)cyclododecane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCCCCCCCCCC1
InChIInChI=1S/C16H31NO2/c1-3-17-16(15(18)19-2)13-11-9-7-5-4-6-8-10-12-14-16/h17H,3-14H2,1-2H3
InChIKeySDNVXBSMGOKLDE-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate
CID 62367369
methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate
CID 60787527
methyl 3-(azocan-1-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79628664
methyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate
CID 14976116
methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate
CID 136574717
methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636589
methyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64757218
methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate
CID 54908156
methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate
CID 22080602
bis[1-(ethylamino)cyclobutyl]methanone
CID 154353142
1-(ethylamino)-N-methylcyclopentane-1-carboxamide
CID 131039978
methyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate
CID 110192724

Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylamino)cyclododecane-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)cyclododecane-1-carboxylate (CID 60788037) is methyl 1-(ethylamino)cyclododecane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)cyclododecane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)cyclododecane-1-carboxylate is CCNC1(C(=O)OC)CCCCCCCCCCC1.
What is the InChIKey of methyl 1-(ethylamino)cyclododecane-1-carboxylate?
The InChIKey is SDNVXBSMGOKLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-17-16(15(18)19-2)13-11-9-7-5-4-6-8-10-12-14-16/h17H,3-14H2,1-2H3.
What are the key properties of methyl 1-(ethylamino)cyclododecane-1-carboxylate?
methyl 1-(ethylamino)cyclododecane-1-carboxylate has a molecular weight of 269.43 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)cyclododecane-1-carboxylate is sourced from PubChem (CID 60788037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).