2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine

C13H30N2O — CID 63070283

IUPAC2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine
SMILESCCOC(CN)CCN(C)C(C)CC(C)C
InChIInChI=1S/C13H30N2O/c1-6-16-13(10-14)7-8-15(5)12(4)9-11(2)3/h11-13H,6-10,14H2,1-5H3
InChIKeyFLXCFWNBPXXFQR-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.11
Rot. Bonds9

About 2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine

2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine (PubChem CID 63070283) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine
PubChem CID63070283
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine
SMILESCCOC(CN)CCN(C)C(C)CC(C)C
InChIInChI=1S/C13H30N2O/c1-6-16-13(10-14)7-8-15(5)12(4)9-11(2)3/h11-13H,6-10,14H2,1-5H3
InChIKeyFLXCFWNBPXXFQR-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
CID 95006031
N'-cyclopropyl-2-ethoxy-N'-methylbutane-1,4-diamine
CID 63069693
N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine
CID 63070467
2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide
CID 63070450
N'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine
CID 102991675
2-ethoxy-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 63069851
2-ethoxy-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine
CID 63071036
1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol
CID 63070098
2-ethoxy-N'-(4-ethylphenyl)-N'-methylbutane-1,4-diamine
CID 63070653
2-ethoxy-N'-ethyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 63069720
2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine
CID 63070797
methyl 2-(ethylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanoate
CID 63053083

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine?
The IUPAC name of 2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine (CID 63070283) is 2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine.
What is the SMILES notation for 2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine?
The canonical SMILES for 2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine is CCOC(CN)CCN(C)C(C)CC(C)C.
What is the InChIKey of 2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine?
The InChIKey is FLXCFWNBPXXFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-16-13(10-14)7-8-15(5)12(4)9-11(2)3/h11-13H,6-10,14H2,1-5H3.
What are the key properties of 2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine?
2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine is sourced from PubChem (CID 63070283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).