3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine

C13H30InN — CID 171588649

IUPAC3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCC[In](C(C)C)C(C)C
InChIInChI=1S/C7H16N.2C3H7.In/c1-4-6-8(3)7-5-2;2*1-3-2;/h1,4-7H2,2-3H3;2*3H,1-2H3;
InChIKeyODCBEBWDBINRNB-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.03
Rot. Bonds8

About 3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine

3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine (PubChem CID 171588649) has the molecular formula C13H30InN and a molecular weight of 315.21 g/mol. Its IUPAC name is 3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine
PubChem CID171588649
Molecular FormulaC13H30InN
Molecular Weight315.21 g/mol
Exact Mass315.14
IUPAC Name3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine
SMILESCCCN(C)CCC[In](C(C)C)C(C)C
InChIInChI=1S/C7H16N.2C3H7.In/c1-4-6-8(3)7-5-2;2*1-3-2;/h1,4-7H2,2-3H3;2*3H,1-2H3;
InChIKeyODCBEBWDBINRNB-UHFFFAOYSA-N
XLogP4.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine
CID 171588701
3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine
CID 171588667
3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine
CID 171588740
3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine
CID 171588516
4-di(propan-2-yl)indiganyl-N,N-diethylbutan-1-amine
CID 171588445
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
N,N,N'-trimethyl-N'-[3-[methyl(propyl)amino]propyl]propane-1,3-diamine
CID 20621536
N-methyl-N-propyldecan-1-amine
CID 13122225
methane;2-methylbutane;N-methyl-N-propylpropan-1-amine
CID 143703435
N,7-dimethyl-N-propylnonan-1-amine
CID 174179101
4-methylnonane;N-methyl-N-propylpentan-1-amine
CID 142379578
N,N'-dimethyl-N'-methylidenephosphanyl-N-propylpropane-1,3-diamine
CID 143379065

Frequently Asked Questions

What is the IUPAC name of 3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine (CID 171588649) is 3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine is CCCN(C)CCC[In](C(C)C)C(C)C.
What is the InChIKey of 3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine?
The InChIKey is ODCBEBWDBINRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N.2C3H7.In/c1-4-6-8(3)7-5-2;2*1-3-2;/h1,4-7H2,2-3H3;2*3H,1-2H3;.
What are the key properties of 3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine?
3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine has a molecular weight of 315.21 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 171588649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).