4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine

C13H30N2O — CID 81067945

IUPAC4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
SMILESCCOCCN(C)C(C)CCCNC(C)C
InChIInChI=1S/C13H30N2O/c1-6-16-11-10-15(5)13(4)8-7-9-14-12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyHKDZVMGPTFFFKM-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds10

About 4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine

4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine (PubChem CID 81067945) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
PubChem CID81067945
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
SMILESCCOCCN(C)C(C)CCCNC(C)C
InChIInChI=1S/C13H30N2O/c1-6-16-11-10-15(5)13(4)8-7-9-14-12(2)3/h12-14H,6-11H2,1-5H3
InChIKeyHKDZVMGPTFFFKM-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62424956
1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine
CID 81074188
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62856942
N'-(4-ethoxybutyl)-N'-ethyl-N-propan-2-ylpropane-1,3-diamine;molecular hydrogen
CID 156884797
N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine
CID 159368359
4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine
CID 82952231
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62411652
N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 82951040
4-(1-ethoxypropan-2-yloxy)-N-propan-2-ylpentan-1-amine
CID 103490667
4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine
CID 62459863
N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 62341832

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine?
The IUPAC name of 4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine (CID 81067945) is 4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine is CCOCCN(C)C(C)CCCNC(C)C.
What is the InChIKey of 4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine?
The InChIKey is HKDZVMGPTFFFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-16-11-10-15(5)13(4)8-7-9-14-12(2)3/h12-14H,6-11H2,1-5H3.
What are the key properties of 4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine?
4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine is sourced from PubChem (CID 81067945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).