N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine

C18H37NO — CID 63475627

IUPACN-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine
SMILESCCNC1CCCCCCCCCCC1OC(C)(C)C
InChIInChI=1S/C18H37NO/c1-5-19-16-14-12-10-8-6-7-9-11-13-15-17(16)20-18(2,3)4/h16-17,19H,5-15H2,1-4H3
InChIKeyAOMFVYAWDZXHLG-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.06
Rot. Bonds3

About N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine

N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine (PubChem CID 63475627) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine
PubChem CID63475627
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine
SMILESCCNC1CCCCCCCCCCC1OC(C)(C)C
InChIInChI=1S/C18H37NO/c1-5-19-16-14-12-10-8-6-7-9-11-13-15-17(16)20-18(2,3)4/h16-17,19H,5-15H2,1-4H3
InChIKeyAOMFVYAWDZXHLG-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine
CID 63475623
2-(2-cyclopropylethoxy)-N-ethylcyclododecan-1-amine
CID 106200788
2-(2-cyclopropylethoxy)-N-ethylcyclooctan-1-amine
CID 106200627
trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
CID 93280859
2-(2-cyclobutylethoxy)-N-ethylcyclooctan-1-amine
CID 106200977
(2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
CID 59906415
N-ethyl-2-methoxycyclopentan-1-amine
CID 53276122
trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine
CID 94302756
N-ethyl-2-(2-ethylbutoxy)cyclooctan-1-amine
CID 114208332
N-ethyl-2-hexoxycycloheptan-1-amine
CID 55135932
N-ethyl-2-octoxycycloheptan-1-amine
CID 63473760
2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine
CID 114340804

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine?
The IUPAC name of N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine (CID 63475627) is N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine.
What is the SMILES notation for N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine?
The canonical SMILES for N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine is CCNC1CCCCCCCCCCC1OC(C)(C)C.
What is the InChIKey of N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine?
The InChIKey is AOMFVYAWDZXHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-5-19-16-14-12-10-8-6-7-9-11-13-15-17(16)20-18(2,3)4/h16-17,19H,5-15H2,1-4H3.
What are the key properties of N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine?
N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine is sourced from PubChem (CID 63475627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).