N-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine

C15H31NO — CID 114241922

IUPACN-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine
SMILESCCCC(C)CC(NCC)C1CCOCC1C
InChIInChI=1S/C15H31NO/c1-5-7-12(3)10-15(16-6-2)14-8-9-17-11-13(14)4/h12-16H,5-11H2,1-4H3
InChIKeyYDQWLQKDQIKZKJ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.46
Rot. Bonds7

About N-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine

N-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine (PubChem CID 114241922) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine
PubChem CID114241922
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine
SMILESCCCC(C)CC(NCC)C1CCOCC1C
InChIInChI=1S/C15H31NO/c1-5-7-12(3)10-15(16-6-2)14-8-9-17-11-13(14)4/h12-16H,5-11H2,1-4H3
InChIKeyYDQWLQKDQIKZKJ-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine
CID 65352588
1-(3-methyloxan-4-yl)-N-propylheptan-1-amine
CID 114241913
N-ethyl-1-(3-methyloxan-4-yl)prop-2-yn-1-amine
CID 130492029
N-ethyl-1-(oxolan-3-yl)pentan-1-amine
CID 65330630
N-[2-bicyclo[2.2.1]heptanyl-(3-methyloxan-4-yl)methyl]ethanamine
CID 114246794
N-ethyl-3-methyl-1-(4-methylmorpholin-2-yl)hexan-1-amine
CID 79093453
2-(3-methyloxan-4-yl)propan-1-amine
CID 83905272
N-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine
CID 65419974
N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138060
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methylbutan-1-amine
CID 79914707
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine
CID 79658692
3-methyl-1-(3-methyloxolan-2-yl)hexan-1-amine
CID 115845754

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine (CID 114241922) is N-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine is CCCC(C)CC(NCC)C1CCOCC1C.
What is the InChIKey of N-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine?
The InChIKey is YDQWLQKDQIKZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-7-12(3)10-15(16-6-2)14-8-9-17-11-13(14)4/h12-16H,5-11H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine?
N-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine is sourced from PubChem (CID 114241922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).