2,2-diethyl-3-methoxy-4-methylpentan-1-amine

C11H25NO — CID 123227131

IUPAC2,2-diethyl-3-methoxy-4-methylpentan-1-amine
SMILESCCC(CC)(CN)C(OC)C(C)C
InChIInChI=1S/C11H25NO/c1-6-11(7-2,8-12)10(13-5)9(3)4/h9-10H,6-8,12H2,1-5H3
InChIKeyRFQLTEWZYKITBZ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.42
Rot. Bonds6

About 2,2-diethyl-3-methoxy-4-methylpentan-1-amine

2,2-diethyl-3-methoxy-4-methylpentan-1-amine (PubChem CID 123227131) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2,2-diethyl-3-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-3-methoxy-4-methylpentan-1-amine
PubChem CID123227131
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2,2-diethyl-3-methoxy-4-methylpentan-1-amine
SMILESCCC(CC)(CN)C(OC)C(C)C
InChIInChI=1S/C11H25NO/c1-6-11(7-2,8-12)10(13-5)9(3)4/h9-10H,6-8,12H2,1-5H3
InChIKeyRFQLTEWZYKITBZ-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethyl-3-methoxyhexan-1-amine hydrochloride
CID 71756833
2,2-Diethyl-3-methoxy-4-methylcyclobutan-1-amine
CID 71757966
4-Ethyl-3-methoxyhexan-1-amine
CID 71756834
2-Ethyl-3-propan-2-yloxypentan-1-amine
CID 58303718
2-Ethyl-4-methyl-3-propan-2-yloxypentan-1-amine
CID 58303750
2-(Aminomethyl)-2-ethyl-1-methoxybutane
CID 83904989
(2R)-2-ethyl-4-methoxypentan-1-amine
CID 88904656
2-Ethyl-3-methoxy-4-methylpentan-1-amine
CID 88936073
2-Ethyl-3-methoxypentan-1-amine
CID 88936075
2-(Ethoxymethyl)-4-methyl-2-propylpentan-1-amine
CID 91542550
2-(Methoxymethyl)-2-methylpentan-1-amine
CID 103984443
2-Ethyl-2-(methoxymethyl)hexan-1-amine
CID 103984446

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-methoxy-4-methylpentan-1-amine?
The IUPAC name of 2,2-diethyl-3-methoxy-4-methylpentan-1-amine (CID 123227131) is 2,2-diethyl-3-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 2,2-diethyl-3-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 2,2-diethyl-3-methoxy-4-methylpentan-1-amine is CCC(CC)(CN)C(OC)C(C)C.
What is the InChIKey of 2,2-diethyl-3-methoxy-4-methylpentan-1-amine?
The InChIKey is RFQLTEWZYKITBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-11(7-2,8-12)10(13-5)9(3)4/h9-10H,6-8,12H2,1-5H3.
What are the key properties of 2,2-diethyl-3-methoxy-4-methylpentan-1-amine?
2,2-diethyl-3-methoxy-4-methylpentan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 123227131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).