N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine

C12H29N3 — CID 63725817

IUPACN,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine
SMILESCC(C)CNCCN(C)CCCN(C)C
InChIInChI=1S/C12H29N3/c1-12(2)11-13-7-10-15(5)9-6-8-14(3)4/h12-13H,6-11H2,1-5H3
InChIKeyUWZBDCNEQZYLPV-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.12
Rot. Bonds9

About N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine (PubChem CID 63725817) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine
PubChem CID63725817
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC NameN,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine
SMILESCC(C)CNCCN(C)CCCN(C)C
InChIInChI=1S/C12H29N3/c1-12(2)11-13-7-10-15(5)9-6-8-14(3)4/h12-13H,6-11H2,1-5H3
InChIKeyUWZBDCNEQZYLPV-UHFFFAOYSA-N
XLogP1.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.12
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

N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870
N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591894
N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine
CID 63527329
N'-(3-ethoxypropyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 65175588
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62448029
N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine
CID 62421290
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63725131
N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62422401
N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 101082542
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine
CID 63727214
N'-[2-(hexylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725666
N'-chloro-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 89066515

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine (CID 63725817) is N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine is CC(C)CNCCN(C)CCCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine?
The InChIKey is UWZBDCNEQZYLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-12(2)11-13-7-10-15(5)9-6-8-14(3)4/h12-13H,6-11H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[2-(2-methylpropylamino)ethyl]propane-1,3-diamine is sourced from PubChem (CID 63725817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).