4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine

C10H24InN — CID 171588564

IUPAC4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)N(C)CCCC[In](C)C
InChIInChI=1S/C8H18N.2CH3.In/c1-5-6-7-9(4)8(2)3;;;/h8H,1,5-7H2,2-4H3;2*1H3;
InChIKeyKBRQWQSOGVQUIX-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.86
Rot. Bonds6

About 4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine

4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 171588564) has the molecular formula C10H24InN and a molecular weight of 273.13 g/mol. Its IUPAC name is 4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine
PubChem CID171588564
Molecular FormulaC10H24InN
Molecular Weight273.13 g/mol
Exact Mass273.09
IUPAC Name4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)N(C)CCCC[In](C)C
InChIInChI=1S/C8H18N.2CH3.In/c1-5-6-7-9(4)8(2)3;;;/h8H,1,5-7H2,2-4H3;2*1H3;
InChIKeyKBRQWQSOGVQUIX-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.86
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-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine
CID 59059943
N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 16748474
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
N-methyl-3-[methyl-[3-[methyl(propan-2-yl)amino]propyl]indiganyl]-N-propylpropan-1-amine
CID 171588701
3-bromo-N-methyl-N-propan-2-ylpropan-1-amine
CID 61287527
N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine
CID 167101459
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
3-[methyl(propan-2-yl)amino]propane-1-sulfonyl chloride
CID 112594598
N,N'-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423548
N-ethenyl-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 166892969
4-dimethylindiganyl-N,N-diethylbutan-1-amine
CID 171588521

Frequently Asked Questions

What is the IUPAC name of 4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine (CID 171588564) is 4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine is CC(C)N(C)CCCC[In](C)C.
What is the InChIKey of 4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is KBRQWQSOGVQUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N.2CH3.In/c1-5-6-7-9(4)8(2)3;;;/h8H,1,5-7H2,2-4H3;2*1H3;.
What are the key properties of 4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine?
4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 273.13 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylindiganyl-N-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 171588564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).