N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine

C18H29NO — CID 79830139

IUPACN-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine
SMILESCC(C)(C)NCCC(C)(C)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H29NO/c1-17(2,3)19-11-10-18(4,5)15-8-9-16-14(13-15)7-6-12-20-16/h8-9,13,19H,6-7,10-12H2,1-5H3
InChIKeyVXBYULBQWMTWOT-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.07
Rot. Bonds4

About N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine

N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine (PubChem CID 79830139) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine
PubChem CID79830139
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine
SMILESCC(C)(C)NCCC(C)(C)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H29NO/c1-17(2,3)19-11-10-18(4,5)15-8-9-16-14(13-15)7-6-12-20-16/h8-9,13,19H,6-7,10-12H2,1-5H3
InChIKeyVXBYULBQWMTWOT-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830322
3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol
CID 79838589
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830115
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]-N-methylmethanediamine
CID 115227515
N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195630
[[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol
CID 115229672
2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine
CID 82470188
N-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]acetamide
CID 115191462
5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran
CID 79837255
N-tert-butyl-5-(2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylpentan-1-amine
CID 65304245
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine (CID 79830139) is N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine is CC(C)(C)NCCC(C)(C)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine?
The InChIKey is VXBYULBQWMTWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2,3)19-11-10-18(4,5)15-8-9-16-14(13-15)7-6-12-20-16/h8-9,13,19H,6-7,10-12H2,1-5H3.
What are the key properties of N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine?
N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 79830139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).