2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine

C16H37N3 — CID 62568667

IUPAC2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine
SMILESCCCCCNCC(C)N(CCN(C)C)CC(C)C
InChIInChI=1S/C16H37N3/c1-7-8-9-10-17-13-16(4)19(14-15(2)3)12-11-18(5)6/h15-17H,7-14H2,1-6H3
InChIKeySEUCQAROWAFRNX-UHFFFAOYSA-N
MW271.49 g/mol
LogP2.67
Rot. Bonds12

About 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine

2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine (PubChem CID 62568667) has the molecular formula C16H37N3 and a molecular weight of 271.49 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine
PubChem CID62568667
Molecular FormulaC16H37N3
Molecular Weight271.49 g/mol
Exact Mass271.30
IUPAC Name2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine
SMILESCCCCCNCC(C)N(CCN(C)C)CC(C)C
InChIInChI=1S/C16H37N3/c1-7-8-9-10-17-13-16(4)19(14-15(2)3)12-11-18(5)6/h15-17H,7-14H2,1-6H3
InChIKeySEUCQAROWAFRNX-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 52.67
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

1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62569030
2-N-(2-aminopropyl)-1-N,2-N-didodecylpropane-1,2-diamine
CID 19991248
2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine
CID 62436377
1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62570630
N'-[2-(dimethylamino)ethyl]-N,N'-bis(2-methylpropyl)pentane-1,5-diamine
CID 62426095
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-pentylpropane-1,2-diamine
CID 103191810
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63466838
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine
CID 55011655
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 102997823
N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine
CID 62462345
N'-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-N'-propylpropane-1,3-diamine
CID 62436876
2-N-(2-methoxyethyl)-1-N-(3-methylbutyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62569208

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine (CID 62568667) is 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine is CCCCCNCC(C)N(CCN(C)C)CC(C)C.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine?
The InChIKey is SEUCQAROWAFRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3/c1-7-8-9-10-17-13-16(4)19(14-15(2)3)12-11-18(5)6/h15-17H,7-14H2,1-6H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine?
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine has a molecular weight of 271.49 g/mol, XLogP of 2.67, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine is sourced from PubChem (CID 62568667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).