2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine

C14H32N2O — CID 81067526

IUPAC2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
SMILESCCC(CC)NCC(C)N(C)CCOC(C)C
InChIInChI=1S/C14H32N2O/c1-7-14(8-2)15-11-13(5)16(6)9-10-17-12(3)4/h12-15H,7-11H2,1-6H3
InChIKeyMJQVVOSDBKZXTK-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.51
Rot. Bonds10

About 2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine

2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine (PubChem CID 81067526) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
PubChem CID81067526
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
SMILESCCC(CC)NCC(C)N(C)CCOC(C)C
InChIInChI=1S/C14H32N2O/c1-7-14(8-2)15-11-13(5)16(6)9-10-17-12(3)4/h12-15H,7-11H2,1-6H3
InChIKeyMJQVVOSDBKZXTK-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81068114
1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81067503
N-(3-propan-2-yloxypropyl)pentan-3-amine
CID 28727128
2-N-(2-methoxyethyl)-1-N,2-N-di(pentan-3-yl)propane-1,2-diamine
CID 62568197
2-N-methyl-2-N-(2-propan-2-yloxyethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 81068790
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 62569276
3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine
CID 81056050
2-N-(2-methoxyethyl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 62447079
N-[2-(2-methoxyethoxy)propyl]pentan-3-amine
CID 62567271
2-[methyl(2-propan-2-yloxyethyl)amino]pentanehydrazide
CID 83046919
2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 81056584
2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butan-1-ol
CID 81063410

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine (CID 81067526) is 2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine is CCC(CC)NCC(C)N(C)CCOC(C)C.
What is the InChIKey of 2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine?
The InChIKey is MJQVVOSDBKZXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-7-14(8-2)15-11-13(5)16(6)9-10-17-12(3)4/h12-15H,7-11H2,1-6H3.
What are the key properties of 2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine?
2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-pentan-3-yl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine is sourced from PubChem (CID 81067526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).