N-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine

C15H35InN2 — CID 171588701

IUPACN-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine
SMILESCCCN(C)CCC[In](C)CCCN(C)C(C)C
InChIInChI=1S/2C7H16N.CH3.In/c1-5-6-8(4)7(2)3;1-4-6-8(3)7-5-2;;/h7H,1,5-6H2,2-4H3;1,4-7H2,2-3H3;1H3;
InChIKeyDLXUGOFHNLONRG-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.57
Rot. Bonds11

About N-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine

N-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine (PubChem CID 171588701) has the molecular formula C15H35InN2 and a molecular weight of 358.28 g/mol. Its IUPAC name is N-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine
PubChem CID171588701
Molecular FormulaC15H35InN2
Molecular Weight358.28 g/mol
Exact Mass358.18
IUPAC NameN-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine
SMILESCCCN(C)CCC[In](C)CCCN(C)C(C)C
InChIInChI=1S/2C7H16N.CH3.In/c1-5-6-8(4)7(2)3;1-4-6-8(3)7-5-2;;/h7H,1,5-6H2,2-4H3;1,4-7H2,2-3H3;1H3;
InChIKeyDLXUGOFHNLONRG-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

3-[3-(dipropylamino)propyl-methylindiganyl]-N-methyl-N-propylpropan-1-amine
CID 171588516
3-di(propan-2-yl)indiganyl-N-methyl-N-propylpropan-1-amine
CID 171588649
N,N-dimethyl-3-[3-[methyl(propan-2-yl)amino]propyl-propylindiganyl]propan-1-amine
CID 171588425
4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine
CID 171588564
3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine
CID 171588667
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
3-[ethyl-[3-[methyl(propyl)amino]propyl]indiganyl]-N,N-dimethylpropan-1-amine
CID 171588740
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine?
The IUPAC name of N-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine (CID 171588701) is N-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine?
The canonical SMILES for N-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine is CCCN(C)CCC[In](C)CCCN(C)C(C)C.
What is the InChIKey of N-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine?
The InChIKey is DLXUGOFHNLONRG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16N.CH3.In/c1-5-6-8(4)7(2)3;1-4-6-8(3)7-5-2;;/h7H,1,5-6H2,2-4H3;1,4-7H2,2-3H3;1H3;.
What are the key properties of N-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine?
N-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-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-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine is sourced from PubChem (CID 171588701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).