8-tert-butyl-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine

C17H25NO — CID 43537229

IUPAC8-tert-butyl-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1CC(NC2CC2)c2cccc(C(C)(C)C)c2O1
InChIInChI=1S/C17H25NO/c1-11-10-15(18-12-8-9-12)13-6-5-7-14(16(13)19-11)17(2,3)4/h5-7,11-12,15,18H,8-10H2,1-4H3
InChIKeyJEPKZBMBHYIGPQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.95
Rot. Bonds2

About 8-tert-butyl-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine

8-tert-butyl-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43537229) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 8-tert-butyl-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-tert-butyl-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43537229
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name8-tert-butyl-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1CC(NC2CC2)c2cccc(C(C)(C)C)c2O1
InChIInChI=1S/C17H25NO/c1-11-10-15(18-12-8-9-12)13-6-5-7-14(16(13)19-11)17(2,3)4/h5-7,11-12,15,18H,8-10H2,1-4H3
InChIKeyJEPKZBMBHYIGPQ-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-tert-butyl-N-cyclopropyl-6-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43536932
7-tert-butyl-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512531
N,2,8-trimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43536914
6-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43536893
8-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538869
N-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 43512490
8-tert-butyl-2,4-dimethyl-2,3-dihydro-1,4-benzoxazine
CID 82230918
1-tert-butyl-8-cyclopropylnaphthalene
CID 156665597
4-[[(5S)-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]cyclohexan-1-ol
CID 93282055
N-cyclohexyl-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43756033
2-tert-butyl-6-cyclopropylphenol
CID 139975684
N-cyclohexyl-3-methyl-2,3-dihydro-1H-inden-1-amine
CID 53408548

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-tert-butyl-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine (CID 43537229) is 8-tert-butyl-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-tert-butyl-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-tert-butyl-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine is CC1CC(NC2CC2)c2cccc(C(C)(C)C)c2O1.
What is the InChIKey of 8-tert-butyl-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is JEPKZBMBHYIGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-11-10-15(18-12-8-9-12)13-6-5-7-14(16(13)19-11)17(2,3)4/h5-7,11-12,15,18H,8-10H2,1-4H3.
What are the key properties of 8-tert-butyl-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine?
8-tert-butyl-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 259.39 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43537229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).