N-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine

C12H28InN — CID 171588546

IUPACN-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine
SMILESCCN(CCCC[In](C)CC)C(C)C
InChIInChI=1S/C9H20N.C2H5.CH3.In/c1-5-7-8-10(6-2)9(3)4;1-2;;/h9H,1,5-8H2,2-4H3;1H2,2H3;1H3;
InChIKeyCHDVZSKZWCBAQD-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.64
Rot. Bonds8

About N-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine

N-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine (PubChem CID 171588546) has the molecular formula C12H28InN and a molecular weight of 301.18 g/mol. Its IUPAC name is N-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine
PubChem CID171588546
Molecular FormulaC12H28InN
Molecular Weight301.18 g/mol
Exact Mass301.13
IUPAC NameN-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine
SMILESCCN(CCCC[In](C)CC)C(C)C
InChIInChI=1S/C9H20N.C2H5.CH3.In/c1-5-7-8-10(6-2)9(3)4;1-2;;/h9H,1,5-8H2,2-4H3;1H2,2H3;1H3;
InChIKeyCHDVZSKZWCBAQD-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 59289592
N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methylpropan-1-amine
CID 171588607
N-(2-chloroethyl)-N-ethylpropan-2-amine
CID 13327740
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-methyl-N-propylpropan-1-amine
CID 171588667
N-ethyl-3-[3-[ethyl(propan-2-yl)amino]propyl-propylindiganyl]-N-propylpropan-1-amine
CID 171588524
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
N-[3-[butan-2-yl(ethyl)amino]propyl]-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 178016372
4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine
CID 171588564
N-ethyl-6-phenoxy-N-propan-2-ylhexan-1-amine
CID 141046918
1-amino-6-[ethyl(propan-2-yl)amino]-2-methylhexan-2-ol
CID 64820439
N-ethyl-4-[ethyl(propan-2-yl)amino]-N-methylbutanamide
CID 146482077

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine?
The IUPAC name of N-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine (CID 171588546) is N-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for N-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine is CCN(CCCC[In](C)CC)C(C)C.
What is the InChIKey of N-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine?
The InChIKey is CHDVZSKZWCBAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N.C2H5.CH3.In/c1-5-7-8-10(6-2)9(3)4;1-2;;/h9H,1,5-8H2,2-4H3;1H2,2H3;1H3;.
What are the key properties of N-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine?
N-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine has a molecular weight of 301.18 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 171588546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).