3-[3-(diethylamino)propyl-propan-2-ylindiganyl]-N,N-diethylpropan-1-amine

C17H39InN2 — CID 171588469

IUPAC3-[3-(diethylamino)propyl-propan-2-ylindiganyl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCC[In](CCCN(CC)CC)C(C)C
InChIInChI=1S/2C7H16N.C3H7.In/c2*1-4-7-8(5-2)6-3;1-3-2;/h2*1,4-7H2,2-3H3;3H,1-2H3;
InChIKeyUTKJXDVPOWCMCI-UHFFFAOYSA-N
MW386.33 g/mol
LogP4.36
Rot. Bonds13

About 3-[3-(diethylamino)propyl-propan-2-ylindiganyl]-N,N-diethylpropan-1-amine

3-[3-(diethylamino)propyl-propan-2-ylindiganyl]-N,N-diethylpropan-1-amine (PubChem CID 171588469) has the molecular formula C17H39InN2 and a molecular weight of 386.33 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl-propan-2-ylindiganyl]-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl-propan-2-ylindiganyl]-N,N-diethylpropan-1-amine
PubChem CID171588469
Molecular FormulaC17H39InN2
Molecular Weight386.33 g/mol
Exact Mass386.22
IUPAC Name3-[3-(diethylamino)propyl-propan-2-ylindiganyl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCC[In](CCCN(CC)CC)C(C)C
InChIInChI=1S/2C7H16N.C3H7.In/c2*1-4-7-8(5-2)6-3;1-3-2;/h2*1,4-7H2,2-3H3;3H,1-2H3;
InChIKeyUTKJXDVPOWCMCI-UHFFFAOYSA-N
XLogP4.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-[propan-2-yl(propyl)indiganyl]-N-propylpropan-1-amine
CID 171588510
4-di(propan-2-yl)indiganyl-N,N-diethylbutan-1-amine
CID 171588445
7-(diethylamino)heptan-2-ol
CID 168866586
4-dimethylindiganyl-N,N-diethylbutan-1-amine
CID 171588521
N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563
N,N-diethyl-7-methyloctan-1-amine
CID 140640735
N,N-diethyl-15-methylhexadecan-1-amine
CID 139723585
N,N-diethylpropan-1-amine;2-methylpropane
CID 143334042
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
N-ethyl-3-[ethyl-[3-[ethyl(propyl)amino]propyl]indiganyl]-N-propylpropan-1-amine
CID 171588717
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl-propan-2-ylindiganyl]-N,N-diethylpropan-1-amine?
The IUPAC name of 3-[3-(diethylamino)propyl-propan-2-ylindiganyl]-N,N-diethylpropan-1-amine (CID 171588469) is 3-[3-(diethylamino)propyl-propan-2-ylindiganyl]-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-[3-(diethylamino)propyl-propan-2-ylindiganyl]-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-[3-(diethylamino)propyl-propan-2-ylindiganyl]-N,N-diethylpropan-1-amine is CCN(CC)CCC[In](CCCN(CC)CC)C(C)C.
What is the InChIKey of 3-[3-(diethylamino)propyl-propan-2-ylindiganyl]-N,N-diethylpropan-1-amine?
The InChIKey is UTKJXDVPOWCMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16N.C3H7.In/c2*1-4-7-8(5-2)6-3;1-3-2;/h2*1,4-7H2,2-3H3;3H,1-2H3;.
What are the key properties of 3-[3-(diethylamino)propyl-propan-2-ylindiganyl]-N,N-diethylpropan-1-amine?
3-[3-(diethylamino)propyl-propan-2-ylindiganyl]-N,N-diethylpropan-1-amine has a molecular weight of 386.33 g/mol, XLogP of 4.36, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl-propan-2-ylindiganyl]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 171588469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).