N-(1-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine

C16H25NO — CID 82814694

IUPACN-(1-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCCC(COC)NC1c2ccccc2CC1(C)C
InChIInChI=1S/C16H25NO/c1-5-13(11-18-4)17-15-14-9-7-6-8-12(14)10-16(15,2)3/h6-9,13,15,17H,5,10-11H2,1-4H3
InChIKeyKGCKWGXUXVKZDP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.32
Rot. Bonds5

About N-(1-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine

N-(1-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 82814694) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID82814694
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(1-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCCC(COC)NC1c2ccccc2CC1(C)C
InChIInChI=1S/C16H25NO/c1-5-13(11-18-4)17-15-14-9-7-6-8-12(14)10-16(15,2)3/h6-9,13,15,17H,5,10-11H2,1-4H3
InChIKeyKGCKWGXUXVKZDP-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82815193
4-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-1-methoxybutan-2-ol
CID 106245547
N-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82797825
N-ethoxy-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82814561
3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol
CID 83177492
2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-phenylethanol
CID 82797031
N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821247
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 113450019
N-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82796846
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine
CID 82814846
2,2-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-dihydroinden-1-amine
CID 82821548
2,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-dihydroinden-1-amine
CID 82821062

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-(1-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 82814694) is N-(1-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-(1-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine is CCC(COC)NC1c2ccccc2CC1(C)C.
What is the InChIKey of N-(1-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is KGCKWGXUXVKZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-13(11-18-4)17-15-14-9-7-6-8-12(14)10-16(15,2)3/h6-9,13,15,17H,5,10-11H2,1-4H3.
What are the key properties of N-(1-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-(1-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82814694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).