N-ethyl-4-methyl-1-(oxan-4-yl)pentan-2-amine

C13H27NO — CID 62601135

IUPACN-ethyl-4-methyl-1-(oxan-4-yl)pentan-2-amine
SMILESCCNC(CC(C)C)CC1CCOCC1
InChIInChI=1S/C13H27NO/c1-4-14-13(9-11(2)3)10-12-5-7-15-8-6-12/h11-14H,4-10H2,1-3H3
InChIKeyFAYYFTVYQIDKAM-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds6

About N-ethyl-4-methyl-1-(oxan-4-yl)pentan-2-amine

N-ethyl-4-methyl-1-(oxan-4-yl)pentan-2-amine (PubChem CID 62601135) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(oxan-4-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(oxan-4-yl)pentan-2-amine
PubChem CID62601135
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-ethyl-4-methyl-1-(oxan-4-yl)pentan-2-amine
SMILESCCNC(CC(C)C)CC1CCOCC1
InChIInChI=1S/C13H27NO/c1-4-14-13(9-11(2)3)10-12-5-7-15-8-6-12/h11-14H,4-10H2,1-3H3
InChIKeyFAYYFTVYQIDKAM-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(oxan-4-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-(oxan-4-yl)pentan-2-amine (CID 62601135) is N-ethyl-4-methyl-1-(oxan-4-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(oxan-4-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(oxan-4-yl)pentan-2-amine is CCNC(CC(C)C)CC1CCOCC1.
What is the InChIKey of N-ethyl-4-methyl-1-(oxan-4-yl)pentan-2-amine?
The InChIKey is FAYYFTVYQIDKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-14-13(9-11(2)3)10-12-5-7-15-8-6-12/h11-14H,4-10H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-1-(oxan-4-yl)pentan-2-amine?
N-ethyl-4-methyl-1-(oxan-4-yl)pentan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(oxan-4-yl)pentan-2-amine is sourced from PubChem (CID 62601135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).