1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine

C19H31NO — CID 65409497

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)C1CCOc2ccccc21
InChIInChI=1S/C19H31NO/c1-5-13-20-17(10-12-19(2,3)4)15-11-14-21-18-9-7-6-8-16(15)18/h6-9,15,17,20H,5,10-14H2,1-4H3
InChIKeyUBHACZJTJRYUMV-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.75
Rot. Bonds6

About 1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine

1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine (PubChem CID 65409497) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine
PubChem CID65409497
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)C1CCOc2ccccc21
InChIInChI=1S/C19H31NO/c1-5-13-20-17(10-12-19(2,3)4)15-11-14-21-18-9-7-6-8-16(15)18/h6-9,15,17,20H,5,10-14H2,1-4H3
InChIKeyUBHACZJTJRYUMV-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine
CID 65409887
N-[1-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83178375
N-[1-(3,4-dihydro-2H-chromen-4-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79826943
1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine
CID 105233759
1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine
CID 104771883
N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647609
1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
CID 65411536
(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 94276035
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 65410083
N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine
CID 107136469
1-(2,3-dihydro-1-benzofuran-3-yl)-N-propylhex-4-yn-1-amine
CID 104807348
5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine
CID 104771905

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine (CID 65409497) is 1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)C)C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine?
The InChIKey is UBHACZJTJRYUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-13-20-17(10-12-19(2,3)4)15-11-14-21-18-9-7-6-8-16(15)18/h6-9,15,17,20H,5,10-14H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 65409497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).