(4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine

C11H25NO2 — CID 97035365

IUPAC(4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine
SMILESCCC[C@H](CCCNCCOC)OC
InChIInChI=1S/C11H25NO2/c1-4-6-11(14-3)7-5-8-12-9-10-13-2/h11-12H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyLAJCXAAZJPQFOI-LLVKDONJSA-N
MW203.33 g/mol
LogP1.82
Rot. Bonds10

About (4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine

(4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine (PubChem CID 97035365) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is (4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine.

Molecular Properties

Compound Name(4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine
PubChem CID97035365
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name(4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine
SMILESCCC[C@H](CCCNCCOC)OC
InChIInChI=1S/C11H25NO2/c1-4-6-11(14-3)7-5-8-12-9-10-13-2/h11-12H,4-10H2,1-3H3/t11-/m1/s1
InChIKeyLAJCXAAZJPQFOI-LLVKDONJSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.82
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-methoxy-N-propylheptan-1-amine
CID 102547572
2-[[(4R)-4-methoxyheptyl]amino]ethanol
CID 97035434
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
(4S)-4-methoxy-N-propan-2-ylheptan-1-amine
CID 97035439
ethane;N-(2-methoxyethyl)hexan-1-amine
CID 177359501
N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine
CID 62570404
N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 62603286
1,2-dimethoxypentane
CID 22961171
N-(2-methoxyethyl)-2-propylhexan-1-amine
CID 62718810
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine
CID 62266935
2-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 62718813
1-chloro-4-methoxyheptane
CID 102547593

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine?
The IUPAC name of (4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine (CID 97035365) is (4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine.
What is the SMILES notation for (4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine?
The canonical SMILES for (4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine is CCC[C@H](CCCNCCOC)OC.
What is the InChIKey of (4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine?
The InChIKey is LAJCXAAZJPQFOI-LLVKDONJSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-6-11(14-3)7-5-8-12-9-10-13-2/h11-12H,4-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine?
(4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 1.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine is sourced from PubChem (CID 97035365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).