N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine

C18H27NO — CID 104768402

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(NCC2CCOc3ccccc32)C1
InChIInChI=1S/C18H27NO/c1-18(2)10-5-6-15(12-18)19-13-14-9-11-20-17-8-4-3-7-16(14)17/h3-4,7-8,14-15,19H,5-6,9-13H2,1-2H3
InChIKeyUWGDQWVLBSAQOV-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.11
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine (PubChem CID 104768402) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine
PubChem CID104768402
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(NCC2CCOc3ccccc32)C1
InChIInChI=1S/C18H27NO/c1-18(2)10-5-6-15(12-18)19-13-14-9-11-20-17-8-4-3-7-16(14)17/h3-4,7-8,14-15,19H,5-6,9-13H2,1-2H3
InChIKeyUWGDQWVLBSAQOV-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine
CID 113320280
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine
CID 115653655
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103966172
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 104768322
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dioxothian-3-amine
CID 115756883
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine
CID 115907993
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 75428071
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4-dimethylcycloheptan-1-ol
CID 104769272
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 104768239
[1-(3,4-dihydro-2H-chromen-4-ylmethylamino)cyclopentyl]methanol
CID 115924343

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine (CID 104768402) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine is CC1(C)CCCC(NCC2CCOc3ccccc32)C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine?
The InChIKey is UWGDQWVLBSAQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(2)10-5-6-15(12-18)19-13-14-9-11-20-17-8-4-3-7-16(14)17/h3-4,7-8,14-15,19H,5-6,9-13H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 104768402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).