N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydro-2H-chromen-4-amine

C19H27NO — CID 43223490

IUPACN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC1(C)C2CCC1(C)C(NC1CCOc3ccccc31)C2
InChIInChI=1S/C19H27NO/c1-18(2)13-8-10-19(18,3)17(12-13)20-15-9-11-21-16-7-5-4-6-14(15)16/h4-7,13,15,17,20H,8-12H2,1-3H3
InChIKeyNMNMFTDDCXYQOX-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.31
Rot. Bonds2

About N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydro-2H-chromen-4-amine

N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43223490) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43223490
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC1(C)C2CCC1(C)C(NC1CCOc3ccccc31)C2
InChIInChI=1S/C19H27NO/c1-18(2)13-8-10-19(18,3)17(12-13)20-15-9-11-21-16-7-5-4-6-14(15)16/h4-7,13,15,17,20H,8-12H2,1-3H3
InChIKeyNMNMFTDDCXYQOX-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydro-2H-chromen-4-amine with MolForge

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 43182350
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 64752350
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
CID 80560661
(1R,4R)-N-cyclopropyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 55278790
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3,4-dihydro-2H-chromen-4-amine
CID 64865640
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine
CID 79857768
trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol
CID 104926539
N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1-benzofuran-3-amine
CID 115400823

Frequently Asked Questions

What is the IUPAC name of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydro-2H-chromen-4-amine (CID 43223490) is N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydro-2H-chromen-4-amine is CC1(C)C2CCC1(C)C(NC1CCOc3ccccc31)C2.
What is the InChIKey of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is NMNMFTDDCXYQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-18(2)13-8-10-19(18,3)17(12-13)20-15-9-11-21-16-7-5-4-6-14(15)16/h4-7,13,15,17,20H,8-12H2,1-3H3.
What are the key properties of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydro-2H-chromen-4-amine?
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 285.43 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43223490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).