1-(2-methoxyethoxy)-5-methylheptan-3-amine

C11H25NO2 — CID 102927782

IUPAC1-(2-methoxyethoxy)-5-methylheptan-3-amine
SMILESCCC(C)CC(N)CCOCCOC
InChIInChI=1S/C11H25NO2/c1-4-10(2)9-11(12)5-6-14-8-7-13-3/h10-11H,4-9,12H2,1-3H3
InChIKeyBADVMZQKYYXYJY-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.80
Rot. Bonds9

About 1-(2-methoxyethoxy)-5-methylheptan-3-amine

1-(2-methoxyethoxy)-5-methylheptan-3-amine (PubChem CID 102927782) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-5-methylheptan-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-5-methylheptan-3-amine
PubChem CID102927782
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-(2-methoxyethoxy)-5-methylheptan-3-amine
SMILESCCC(C)CC(N)CCOCCOC
InChIInChI=1S/C11H25NO2/c1-4-10(2)9-11(12)5-6-14-8-7-13-3/h10-11H,4-9,12H2,1-3H3
InChIKeyBADVMZQKYYXYJY-UHFFFAOYSA-N
XLogP1.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Oxan-4-yl)butan-2-amine
CID 62386259
5-Methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103147984
5-Ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148109
1-(2,2-Difluoroethoxy)-5-methylheptan-3-amine
CID 103148839
1-(2,2-Difluoroethoxy)-5-ethylheptan-3-amine
CID 103149002
1-(3,3-Difluorocyclohexyl)-4-(2-methoxyethoxy)butan-2-amine
CID 114224955
(3R)-1-ethoxy-5-methylhexan-3-amine
CID 57791000
(3S)-1-ethoxy-5-methylhexan-3-amine
CID 57791061
3-Methoxy-1-(2-methylcyclopropyl)propan-1-amine;hydrochloride
CID 69498211
1-(3-Amino-5-ethylnonoxy)-5-ethylnonan-3-amine
CID 87981813
5-Butan-2-yl-4-ethoxyoxolan-3-amine
CID 89400068
5-Butan-2-yl-4-propoxyoxolan-3-amine
CID 89948262

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-5-methylheptan-3-amine?
The IUPAC name of 1-(2-methoxyethoxy)-5-methylheptan-3-amine (CID 102927782) is 1-(2-methoxyethoxy)-5-methylheptan-3-amine.
What is the SMILES notation for 1-(2-methoxyethoxy)-5-methylheptan-3-amine?
The canonical SMILES for 1-(2-methoxyethoxy)-5-methylheptan-3-amine is CCC(C)CC(N)CCOCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)-5-methylheptan-3-amine?
The InChIKey is BADVMZQKYYXYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-10(2)9-11(12)5-6-14-8-7-13-3/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 1-(2-methoxyethoxy)-5-methylheptan-3-amine?
1-(2-methoxyethoxy)-5-methylheptan-3-amine has a molecular weight of 203.33 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-5-methylheptan-3-amine is sourced from PubChem (CID 102927782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).