3-ethoxy-N-(4-methoxybutan-2-yl)-4-methylpentan-1-amine

C13H29NO2 — CID 115688418

IUPAC3-ethoxy-N-(4-methoxybutan-2-yl)-4-methylpentan-1-amine
SMILESCCOC(CCNC(C)CCOC)C(C)C
InChIInChI=1S/C13H29NO2/c1-6-16-13(11(2)3)7-9-14-12(4)8-10-15-5/h11-14H,6-10H2,1-5H3
InChIKeyONWBHGZUVFBPFB-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.45
Rot. Bonds10

About 3-ethoxy-N-(4-methoxybutan-2-yl)-4-methylpentan-1-amine

3-ethoxy-N-(4-methoxybutan-2-yl)-4-methylpentan-1-amine (PubChem CID 115688418) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-ethoxy-N-(4-methoxybutan-2-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(4-methoxybutan-2-yl)-4-methylpentan-1-amine
PubChem CID115688418
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name3-ethoxy-N-(4-methoxybutan-2-yl)-4-methylpentan-1-amine
SMILESCCOC(CCNC(C)CCOC)C(C)C
InChIInChI=1S/C13H29NO2/c1-6-16-13(11(2)3)7-9-14-12(4)8-10-15-5/h11-14H,6-10H2,1-5H3
InChIKeyONWBHGZUVFBPFB-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoroethyl)-4-methoxybutan-2-amine
CID 80695684
N-(2,2-diethoxyethyl)-4-methoxybutan-2-amine
CID 79547510
N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904402
6-(4-methoxybutan-2-ylamino)hexan-3-ol
CID 115891785
2-(3-ethoxy-4-methylpentyl)-1-(2-methoxyethyl)guanidine
CID 111542686
N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine
CID 115714050
N-(4-methoxybutan-2-yl)pent-4-en-1-amine
CID 64603427
5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine
CID 107320059
N-ethyl-3-(4-methoxybutan-2-ylamino)propanamide
CID 64603036
5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol
CID 103905392
N-(2-methoxyethyl)butan-2-amine
CID 43190188
(3S)-3-ethoxy-2-methylheptane
CID 3086090

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-methoxybutan-2-yl)-4-methylpentan-1-amine?
The IUPAC name of 3-ethoxy-N-(4-methoxybutan-2-yl)-4-methylpentan-1-amine (CID 115688418) is 3-ethoxy-N-(4-methoxybutan-2-yl)-4-methylpentan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(4-methoxybutan-2-yl)-4-methylpentan-1-amine?
The canonical SMILES for 3-ethoxy-N-(4-methoxybutan-2-yl)-4-methylpentan-1-amine is CCOC(CCNC(C)CCOC)C(C)C.
What is the InChIKey of 3-ethoxy-N-(4-methoxybutan-2-yl)-4-methylpentan-1-amine?
The InChIKey is ONWBHGZUVFBPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-6-16-13(11(2)3)7-9-14-12(4)8-10-15-5/h11-14H,6-10H2,1-5H3.
What are the key properties of 3-ethoxy-N-(4-methoxybutan-2-yl)-4-methylpentan-1-amine?
3-ethoxy-N-(4-methoxybutan-2-yl)-4-methylpentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(4-methoxybutan-2-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 115688418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).