1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine

C12H28N2O — CID 65041304

IUPAC1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine
SMILESCCC(CC)(CC)NCC(N)CCOC
InChIInChI=1S/C12H28N2O/c1-5-12(6-2,7-3)14-10-11(13)8-9-15-4/h11,14H,5-10,13H2,1-4H3
InChIKeyGACBJNFVIMIZMN-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.91
Rot. Bonds9

About 1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine

1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine (PubChem CID 65041304) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine
PubChem CID65041304
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine
SMILESCCC(CC)(CC)NCC(N)CCOC
InChIInChI=1S/C12H28N2O/c1-5-12(6-2,7-3)14-10-11(13)8-9-15-4/h11,14H,5-10,13H2,1-4H3
InChIKeyGACBJNFVIMIZMN-UHFFFAOYSA-N
XLogP1.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-N-propylbutane-1,2-diamine
CID 62477493
3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine
CID 116501336
4-methoxy-1-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine
CID 102913664
4-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)butane-1,2-diamine
CID 106293951
1-ethoxy-5-methoxypentan-3-amine
CID 114997131
N'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine
CID 106114896
4-methoxy-1-N-(4,4,4-trifluorobutyl)butane-1,2-diamine
CID 115520240
N-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine
CID 80544089
(3R)-1-methoxy-4,4-dimethylpentan-3-amine
CID 94424663
5-methoxy-1-N-octylpentane-1,2-diamine
CID 113337399
1-N-ethyl-4-methoxy-1-N-propan-2-ylbutane-1,2-diamine
CID 62477993
1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine
CID 62475612

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine?
The IUPAC name of 1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine (CID 65041304) is 1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine.
What is the SMILES notation for 1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine?
The canonical SMILES for 1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine is CCC(CC)(CC)NCC(N)CCOC.
What is the InChIKey of 1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine?
The InChIKey is GACBJNFVIMIZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-12(6-2,7-3)14-10-11(13)8-9-15-4/h11,14H,5-10,13H2,1-4H3.
What are the key properties of 1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine?
1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine is sourced from PubChem (CID 65041304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).