6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine

C14H31NO3 — CID 102928662

IUPAC6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine
SMILESCCCNC(CCOCCOC)C(C)CCOC
InChIInChI=1S/C14H31NO3/c1-5-8-15-14(13(2)6-9-16-3)7-10-18-12-11-17-4/h13-15H,5-12H2,1-4H3
InChIKeyBDUHOOOFUGJOIK-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.08
Rot. Bonds13

About 6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine

6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine (PubChem CID 102928662) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine
PubChem CID102928662
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Name6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine
SMILESCCCNC(CCOCCOC)C(C)CCOC
InChIInChI=1S/C14H31NO3/c1-5-8-15-14(13(2)6-9-16-3)7-10-18-12-11-17-4/h13-15H,5-12H2,1-4H3
InChIKeyBDUHOOOFUGJOIK-UHFFFAOYSA-N
XLogP2.08
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 103148773
1,5-dimethoxy-2-methyl-N-propylpentan-3-amine
CID 165348363
1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine
CID 55095563
6-methoxy-4-methyl-N-propyl-1-pyridin-4-ylhexan-3-amine
CID 105185077
6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine
CID 105185190
1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine
CID 102928668
N-ethyl-6-methoxy-4-methylhexan-3-amine
CID 63561367
4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine
CID 63560225
1-(2-methoxyethoxy)-5-methyl-N-propylhex-5-en-3-amine
CID 102928563
1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine
CID 105044273
1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928630
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-(propylamino)butan-1-ol
CID 104560529

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine?
The IUPAC name of 6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine (CID 102928662) is 6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine.
What is the SMILES notation for 6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine?
The canonical SMILES for 6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine is CCCNC(CCOCCOC)C(C)CCOC.
What is the InChIKey of 6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine?
The InChIKey is BDUHOOOFUGJOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-5-8-15-14(13(2)6-9-16-3)7-10-18-12-11-17-4/h13-15H,5-12H2,1-4H3.
What are the key properties of 6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine?
6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine has a molecular weight of 261.41 g/mol, XLogP of 2.08, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine is sourced from PubChem (CID 102928662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).