N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine

C13H30N2O — CID 81079088

IUPACN'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine
SMILESCCC(CC)N(CCOC)CCC(C)CN
InChIInChI=1S/C13H30N2O/c1-5-13(6-2)15(9-10-16-4)8-7-12(3)11-14/h12-13H,5-11,14H2,1-4H3
InChIKeyMTVBQHDTBYALNE-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.11
Rot. Bonds10

About N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine

N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine (PubChem CID 81079088) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine
PubChem CID81079088
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine
SMILESCCC(CC)N(CCOC)CCC(C)CN
InChIInChI=1S/C13H30N2O/c1-5-13(6-2)15(9-10-16-4)8-7-12(3)11-14/h12-13H,5-11,14H2,1-4H3
InChIKeyMTVBQHDTBYALNE-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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

N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine
CID 81079207
N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81079086
N',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine
CID 82683899
4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile
CID 55144282
4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63054663
N-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine
CID 63657246
N'-[2-(3-methylbutoxy)ethyl]-N'-pentan-3-ylethane-1,2-diamine
CID 63759731
1-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]butan-2-ol
CID 64821591
6-methoxy-2-methylhexan-1-amine
CID 64666005
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylpentane-1,5-diamine
CID 82016982
ethyl 3-[2-methoxyethyl(pentan-3-yl)amino]propanoate
CID 55004372
2-ethyl-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82951118

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine?
The IUPAC name of N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine (CID 81079088) is N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine is CCC(CC)N(CCOC)CCC(C)CN.
What is the InChIKey of N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine?
The InChIKey is MTVBQHDTBYALNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-5-13(6-2)15(9-10-16-4)8-7-12(3)11-14/h12-13H,5-11,14H2,1-4H3.
What are the key properties of N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine?
N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine is sourced from PubChem (CID 81079088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).