N-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine

C15H35InN2 — CID 171588666

IUPACN-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine
SMILESCCC[In](CCCN(C)CC)CCCN(C)CC
InChIInChI=1S/2C6H14N.C3H7.In/c2*1-4-6-7(3)5-2;1-3-2;/h2*1,4-6H2,2-3H3;1,3H2,2H3;
InChIKeyMNKUFPLHFIRWGD-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.57
Rot. Bonds12

About N-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine

N-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine (PubChem CID 171588666) has the molecular formula C15H35InN2 and a molecular weight of 358.28 g/mol. Its IUPAC name is N-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine
PubChem CID171588666
Molecular FormulaC15H35InN2
Molecular Weight358.28 g/mol
Exact Mass358.18
IUPAC NameN-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine
SMILESCCC[In](CCCN(C)CC)CCCN(C)CC
InChIInChI=1S/2C6H14N.C3H7.In/c2*1-4-6-7(3)5-2;1-3-2;/h2*1,4-6H2,2-3H3;1,3H2,2H3;
InChIKeyMNKUFPLHFIRWGD-UHFFFAOYSA-N
XLogP3.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine
CID 171588607
3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine
CID 171588667
N-ethyl-N-methyltridecan-1-amine
CID 71442842
N,N'-diethyl-N,N'-dimethylbutane-1,4-diamine;N-ethyl-N,N'-dimethyl-N'-pentylbutane-1,4-diamine;hexane
CID 160540999
ethane;N-ethyl-N-methylpentan-1-amine
CID 142145247
N,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine
CID 171588425
N-ethyl-N-methyloctadecan-1-amine;hydrochloride
CID 174373981
N-ethyl-N-methyldodecan-1-amine;hydrochloride
CID 86105251
N-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine
CID 171588480
3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine
CID 171588740
N'-ethyl-N,N,N'-trimethylpropane-1,3-diamine;propane
CID 142350934
ethene;N-ethyl-N-methylpropan-1-amine
CID 153352940

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine?
The IUPAC name of N-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine (CID 171588666) is N-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine?
The canonical SMILES for N-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine is CCC[In](CCCN(C)CC)CCCN(C)CC.
What is the InChIKey of N-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine?
The InChIKey is MNKUFPLHFIRWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14N.C3H7.In/c2*1-4-6-7(3)5-2;1-3-2;/h2*1,4-6H2,2-3H3;1,3H2,2H3;.
What are the key properties of N-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine?
N-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine has a molecular weight of 358.28 g/mol, XLogP of 3.57, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine is sourced from PubChem (CID 171588666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).