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

C19H31NO — CID 65411679

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)C1COc2ccccc2C1
InChIInChI=1S/C19H31NO/c1-3-5-6-7-11-18(20-13-4-2)17-14-16-10-8-9-12-19(16)21-15-17/h8-10,12,17-18,20H,3-7,11,13-15H2,1-2H3
InChIKeyRRHSSFBXRXDYRX-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.58
Rot. Bonds9

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

1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine (PubChem CID 65411679) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine
PubChem CID65411679
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)C1COc2ccccc2C1
InChIInChI=1S/C19H31NO/c1-3-5-6-7-11-18(20-13-4-2)17-14-16-10-8-9-12-19(16)21-15-17/h8-10,12,17-18,20H,3-7,11,13-15H2,1-2H3
InChIKeyRRHSSFBXRXDYRX-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-chromen-3-yl)nonylhydrazine
CID 105233938
1-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-N-propylpentan-1-amine
CID 65411094
1-(3,4-dihydro-2H-chromen-3-yl)hexylhydrazine
CID 105234038
1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine
CID 65412304
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine
CID 83161048
N-[1-(3,4-dihydro-2H-chromen-3-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79826944
1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177519
3-pentan-2-yl-3,4-dihydro-2H-chromene
CID 139513640
1-(2,3-dihydro-1H-inden-2-yl)-N-ethylnonan-1-amine
CID 65410933
N-[3,4-dihydro-2H-chromen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647613
1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine
CID 65410934
1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine
CID 83161369

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine (CID 65411679) is 1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine is CCCCCCC(NCCC)C1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine?
The InChIKey is RRHSSFBXRXDYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-5-6-7-11-18(20-13-4-2)17-14-16-10-8-9-12-19(16)21-15-17/h8-10,12,17-18,20H,3-7,11,13-15H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine?
1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.58, 9 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-3-yl)-N-propylheptan-1-amine is sourced from PubChem (CID 65411679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).