N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine

C17H39N3 — CID 62426095

IUPACN'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine
SMILESCC(C)CNCCCCCN(CCN(C)C)CC(C)C
InChIInChI=1S/C17H39N3/c1-16(2)14-18-10-8-7-9-11-20(15-17(3)4)13-12-19(5)6/h16-18H,7-15H2,1-6H3
InChIKeyUHBQIMDXLBRHKM-UHFFFAOYSA-N
MW285.52 g/mol
LogP2.92
Rot. Bonds13

About N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine

N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine (PubChem CID 62426095) has the molecular formula C17H39N3 and a molecular weight of 285.52 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine
PubChem CID62426095
Molecular FormulaC17H39N3
Molecular Weight285.52 g/mol
Exact Mass285.31
IUPAC NameN'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine
SMILESCC(C)CNCCCCCN(CCN(C)C)CC(C)C
InChIInChI=1S/C17H39N3/c1-16(2)14-18-10-8-7-9-11-20(15-17(3)4)13-12-19(5)6/h16-18H,7-15H2,1-6H3
InChIKeyUHBQIMDXLBRHKM-UHFFFAOYSA-N
XLogP2.92
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 52.92
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

N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine
CID 62425913
N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
CID 62436876
N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62422401
N'-ethyl-N-(2-methylpropyl)-N'-propylpentane-1,5-diamine
CID 62421601
N'-ethyl-N'-(2-methylbutyl)-N-(2-methylpropyl)hexane-1,6-diamine
CID 79482264
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870
N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine
CID 62421290
N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)butane-1,4-diamine
CID 55072636
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine
CID 62568667
N-ethyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)pentane-1,5-diamine
CID 62431554
N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62428833
N'-[2-[bis(2-methylpropyl)amino]ethyl]-N-[2-[3-[bis(2-methylpropyl)amino]propyl-(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)propane-1,3-diamine
CID 140903513

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine (CID 62426095) is N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine is CC(C)CNCCCCCN(CCN(C)C)CC(C)C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine?
The InChIKey is UHBQIMDXLBRHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3/c1-16(2)14-18-10-8-7-9-11-20(15-17(3)4)13-12-19(5)6/h16-18H,7-15H2,1-6H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine?
N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine has a molecular weight of 285.52 g/mol, XLogP of 2.92, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine is sourced from PubChem (CID 62426095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).