N-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine

C19H29NO — CID 63503431

IUPACN-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCCO2)C1CCCCC1
InChIInChI=1S/C19H29NO/c1-2-12-20-19(15-7-4-3-5-8-15)17-10-11-18-16(14-17)9-6-13-21-18/h10-11,14-15,19-20H,2-9,12-13H2,1H3
InChIKeyPDZMJRJONOJRNG-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.63
Rot. Bonds5

About N-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine

N-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine (PubChem CID 63503431) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine
PubChem CID63503431
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCCO2)C1CCCCC1
InChIInChI=1S/C19H29NO/c1-2-12-20-19(15-7-4-3-5-8-15)17-10-11-18-16(14-17)9-6-13-21-18/h10-11,14-15,19-20H,2-9,12-13H2,1H3
InChIKeyPDZMJRJONOJRNG-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,3-dihydro-1-benzofuran-5-yl(thian-2-yl)methyl]propan-1-amine
CID 104542771
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine
CID 61027484
N-[cycloheptyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 62587740
2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
CID 61028266
N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
CID 114745087
N-[(4-bromo-3-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027651
N-[cyclobutyl(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]ethanamine
CID 43489563
N-[(3-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027860
N-[2,3-dihydro-1-benzofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]propan-1-amine
CID 104542550
4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176331
N-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79691303
6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene
CID 114458684

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine (CID 63503431) is N-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine is CCCNC(c1ccc2c(c1)CCCO2)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine?
The InChIKey is PDZMJRJONOJRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-12-20-19(15-7-4-3-5-8-15)17-10-11-18-16(14-17)9-6-13-21-18/h10-11,14-15,19-20H,2-9,12-13H2,1H3.
What are the key properties of N-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine?
N-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 63503431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).