N-ethyl-1-(oxan-4-yl)dodecan-1-amine

C19H39NO — CID 115855998

IUPACN-ethyl-1-(oxan-4-yl)dodecan-1-amine
SMILESCCCCCCCCCCCC(NCC)C1CCOCC1
InChIInChI=1S/C19H39NO/c1-3-5-6-7-8-9-10-11-12-13-19(20-4-2)18-14-16-21-17-15-18/h18-20H,3-17H2,1-2H3
InChIKeyMITYOHHTXGWINC-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.31
Rot. Bonds13

About N-ethyl-1-(oxan-4-yl)dodecan-1-amine

N-ethyl-1-(oxan-4-yl)dodecan-1-amine (PubChem CID 115855998) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is N-ethyl-1-(oxan-4-yl)dodecan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxan-4-yl)dodecan-1-amine
PubChem CID115855998
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC NameN-ethyl-1-(oxan-4-yl)dodecan-1-amine
SMILESCCCCCCCCCCCC(NCC)C1CCOCC1
InChIInChI=1S/C19H39NO/c1-3-5-6-7-8-9-10-11-12-13-19(20-4-2)18-14-16-21-17-15-18/h18-20H,3-17H2,1-2H3
InChIKeyMITYOHHTXGWINC-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.31
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

1-cyclobutyl-N-ethylundecan-1-amine
CID 64986983
N-ethyl-1-(oxolan-3-yl)pentan-1-amine
CID 65330630
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572
1-cyclooctyl-N-ethylheptan-1-amine
CID 80603132
1-cyclohexyl-N-ethyldodecan-1-amine
CID 114981553
N-ethyl-1-(4-propylcyclohexyl)octan-1-amine
CID 65423776
N-ethyl-4-methylsulfonyl-1-(oxan-4-yl)butan-1-amine
CID 65334712
1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine
CID 65414527
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
4-ethoxy-1-(oxan-4-yl)-N-propylbutan-1-amine
CID 105147293
N-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine
CID 65334608
N-ethyl-1-(oxan-3-yl)pentan-1-amine
CID 65331760

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxan-4-yl)dodecan-1-amine?
The IUPAC name of N-ethyl-1-(oxan-4-yl)dodecan-1-amine (CID 115855998) is N-ethyl-1-(oxan-4-yl)dodecan-1-amine.
What is the SMILES notation for N-ethyl-1-(oxan-4-yl)dodecan-1-amine?
The canonical SMILES for N-ethyl-1-(oxan-4-yl)dodecan-1-amine is CCCCCCCCCCCC(NCC)C1CCOCC1.
What is the InChIKey of N-ethyl-1-(oxan-4-yl)dodecan-1-amine?
The InChIKey is MITYOHHTXGWINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-3-5-6-7-8-9-10-11-12-13-19(20-4-2)18-14-16-21-17-15-18/h18-20H,3-17H2,1-2H3.
What are the key properties of N-ethyl-1-(oxan-4-yl)dodecan-1-amine?
N-ethyl-1-(oxan-4-yl)dodecan-1-amine has a molecular weight of 297.53 g/mol, XLogP of 5.31, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxan-4-yl)dodecan-1-amine is sourced from PubChem (CID 115855998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).