N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine

C11H27N3 — CID 63694492

IUPACN'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
SMILESCC(C)NCCCN(C)CCN(C)C
InChIInChI=1S/C11H27N3/c1-11(2)12-7-6-8-14(5)10-9-13(3)4/h11-12H,6-10H2,1-5H3
InChIKeyZHLPHIDDEUHAOM-UHFFFAOYSA-N
MW201.36 g/mol
LogP0.87
Rot. Bonds8

About N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine

N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine (PubChem CID 63694492) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
PubChem CID63694492
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
SMILESCC(C)NCCCN(C)CCN(C)C
InChIInChI=1S/C11H27N3/c1-11(2)12-7-6-8-14(5)10-9-13(3)4/h11-12H,6-10H2,1-5H3
InChIKeyZHLPHIDDEUHAOM-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 50.87
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'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852012
ethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine
CID 163269208
N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide
CID 106915767
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 547219
N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;molecular hydrogen
CID 145190713
N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849268
N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62448411
N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-propan-2-ylpentane-1,5-diamine
CID 62425913
N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine
CID 164863364
N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine
CID 81068386
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 63725314
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 63693980

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine (CID 63694492) is N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine is CC(C)NCCCN(C)CCN(C)C.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine?
The InChIKey is ZHLPHIDDEUHAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-11(2)12-7-6-8-14(5)10-9-13(3)4/h11-12H,6-10H2,1-5H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine?
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine has a molecular weight of 201.36 g/mol, XLogP of 0.87, 8 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'-methyl-N-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 63694492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).