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

C13H27NO — CID 82923429

IUPAC3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-amine
SMILESCCC(CC)CC(NC)C1CCOCC1
InChIInChI=1S/C13H27NO/c1-4-11(5-2)10-13(14-3)12-6-8-15-9-7-12/h11-14H,4-10H2,1-3H3
InChIKeyPFYFMKHLXDGQKE-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds6

About 3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-amine

3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-amine (PubChem CID 82923429) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-amine
PubChem CID82923429
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-amine
SMILESCCC(CC)CC(NC)C1CCOCC1
InChIInChI=1S/C13H27NO/c1-4-11(5-2)10-13(14-3)12-6-8-15-9-7-12/h11-14H,4-10H2,1-3H3
InChIKeyPFYFMKHLXDGQKE-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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Related Compounds

3-ethyl-N-methyl-1-(oxolan-3-yl)pentan-1-amine
CID 82923243
1-cyclopropyl-3-ethyl-N-methylpentan-1-amine
CID 82922957
N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 116948007
[3-ethyl-1-(oxolan-3-yl)pentyl]hydrazine
CID 105229503
2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 115855813
2-methoxy-N-methyl-1-(oxan-4-yl)ethanamine
CID 63936278
N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745249
4-ethylsulfonyl-N-methyl-1-(oxan-4-yl)butan-1-amine
CID 65334809
1-cyclopropyl-N-methylpropan-1-amine
CID 20693438
1-cyclobutyl-N-methyl-2-(oxan-4-yl)ethanamine
CID 64986800
3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine
CID 65392509
1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine
CID 65391623

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-amine?
The IUPAC name of 3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-amine (CID 82923429) is 3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-amine.
What is the SMILES notation for 3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-amine?
The canonical SMILES for 3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-amine is CCC(CC)CC(NC)C1CCOCC1.
What is the InChIKey of 3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-amine?
The InChIKey is PFYFMKHLXDGQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-11(5-2)10-13(14-3)12-6-8-15-9-7-12/h11-14H,4-10H2,1-3H3.
What are the key properties of 3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-amine?
3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-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 3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-amine is sourced from PubChem (CID 82923429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).