N-ethyl-1-(oxolan-3-yl)dodecan-2-amine

C18H37NO — CID 103987333

IUPACN-ethyl-1-(oxolan-3-yl)dodecan-2-amine
SMILESCCCCCCCCCCC(CC1CCOC1)NCC
InChIInChI=1S/C18H37NO/c1-3-5-6-7-8-9-10-11-12-18(19-4-2)15-17-13-14-20-16-17/h17-19H,3-16H2,1-2H3
InChIKeyRBCIRJQBSQHZPC-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.92
Rot. Bonds13

About N-ethyl-1-(oxolan-3-yl)dodecan-2-amine

N-ethyl-1-(oxolan-3-yl)dodecan-2-amine (PubChem CID 103987333) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-3-yl)dodecan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-3-yl)dodecan-2-amine
PubChem CID103987333
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-ethyl-1-(oxolan-3-yl)dodecan-2-amine
SMILESCCCCCCCCCCC(CC1CCOC1)NCC
InChIInChI=1S/C18H37NO/c1-3-5-6-7-8-9-10-11-12-18(19-4-2)15-17-13-14-20-16-17/h17-19H,3-16H2,1-2H3
InChIKeyRBCIRJQBSQHZPC-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(oxolan-3-yl)decan-2-amine
CID 103987183
1-cyclopropyl-N-ethyltridecan-2-amine
CID 104986536
1-cyclopentyl-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 103987304
N-ethyl-1-(oxolan-3-yl)hex-5-yn-2-amine
CID 103987258
6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine
CID 113362206
1-cyclohexyl-N-ethylheptan-2-amine
CID 115837188
N-ethyl-1-(thian-4-yl)nonan-2-amine
CID 105125122
N-ethylhexadecan-4-amine
CID 63413885
N-ethyltetradecan-7-amine
CID 87847195
N-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine
CID 103987176
6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine
CID 103987551
N-ethyl-1-(oxolan-2-yl)decan-2-amine
CID 62600159

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxolan-3-yl)dodecan-2-amine?
The IUPAC name of N-ethyl-1-(oxolan-3-yl)dodecan-2-amine (CID 103987333) is N-ethyl-1-(oxolan-3-yl)dodecan-2-amine.
What is the SMILES notation for N-ethyl-1-(oxolan-3-yl)dodecan-2-amine?
The canonical SMILES for N-ethyl-1-(oxolan-3-yl)dodecan-2-amine is CCCCCCCCCCC(CC1CCOC1)NCC.
What is the InChIKey of N-ethyl-1-(oxolan-3-yl)dodecan-2-amine?
The InChIKey is RBCIRJQBSQHZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-3-5-6-7-8-9-10-11-12-18(19-4-2)15-17-13-14-20-16-17/h17-19H,3-16H2,1-2H3.
What are the key properties of N-ethyl-1-(oxolan-3-yl)dodecan-2-amine?
N-ethyl-1-(oxolan-3-yl)dodecan-2-amine has a molecular weight of 283.50 g/mol, XLogP of 4.92, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-3-yl)dodecan-2-amine is sourced from PubChem (CID 103987333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).