N,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine

C15H35InN2 — CID 171588425

IUPACN,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine
SMILESCCC[In](CCCN(C)C)CCCN(C)C(C)C
InChIInChI=1S/C7H16N.C5H12N.C3H7.In/c1-5-6-8(4)7(2)3;1-4-5-6(2)3;1-3-2;/h7H,1,5-6H2,2-4H3;1,4-5H2,2-3H3;1,3H2,2H3;
InChIKeyWVUJNDXFUJZYNE-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.57
Rot. Bonds11

About N,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine

N,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine (PubChem CID 171588425) has the molecular formula C15H35InN2 and a molecular weight of 358.28 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine
PubChem CID171588425
Molecular FormulaC15H35InN2
Molecular Weight358.28 g/mol
Exact Mass358.18
IUPAC NameN,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine
SMILESCCC[In](CCCN(C)C)CCCN(C)C(C)C
InChIInChI=1S/C7H16N.C5H12N.C3H7.In/c1-5-6-8(4)7(2)3;1-4-5-6(2)3;1-3-2;/h7H,1,5-6H2,2-4H3;1,4-5H2,2-3H3;1,3H2,2H3;
InChIKeyWVUJNDXFUJZYNE-UHFFFAOYSA-N
XLogP3.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
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-propan-2-yl-3-[3-[propan-2-yl(propyl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine
CID 171588480
N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine
CID 171588607
N-ethyl-3-[3-[ethyl(methyl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine
CID 171588666
3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine
CID 171588667
N-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine
CID 171588701
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
propane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 143725559
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine
CID 171588524
4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine
CID 171588564
3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine
CID 171588740
3-bromo-N-methyl-N-propan-2-ylpropan-1-amine
CID 61287527

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine (CID 171588425) is N,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine is CCC[In](CCCN(C)C)CCCN(C)C(C)C.
What is the InChIKey of N,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine?
The InChIKey is WVUJNDXFUJZYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N.C5H12N.C3H7.In/c1-5-6-8(4)7(2)3;1-4-5-6(2)3;1-3-2;/h7H,1,5-6H2,2-4H3;1,4-5H2,2-3H3;1,3H2,2H3;.
What are the key properties of N,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine?
N,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine has a molecular weight of 358.28 g/mol, XLogP of 3.57, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine is sourced from PubChem (CID 171588425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).