1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine

C18H29NO — CID 83161048

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)C1COc2ccccc2C1
InChIInChI=1S/C18H29NO/c1-4-19-17(10-7-8-14(2)3)16-12-15-9-5-6-11-18(15)20-13-16/h5-6,9,11,14,16-17,19H,4,7-8,10,12-13H2,1-3H3
InChIKeyDKMLIUXBSPCZSO-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.04
Rot. Bonds7

About 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine

1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine (PubChem CID 83161048) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine
PubChem CID83161048
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)C1COc2ccccc2C1
InChIInChI=1S/C18H29NO/c1-4-19-17(10-7-8-14(2)3)16-12-15-9-5-6-11-18(15)20-13-16/h5-6,9,11,14,16-17,19H,4,7-8,10,12-13H2,1-3H3
InChIKeyDKMLIUXBSPCZSO-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-N-propylpentan-1-amine
CID 65411094
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-phenylethanamine
CID 65410502
1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine
CID 65411679
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine
CID 65412063
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine
CID 65410110
1-(3,4-dihydro-2H-chromen-3-yl)hexylhydrazine
CID 105234038
1-(3,4-dihydro-2H-chromen-3-yl)nonylhydrazine
CID 105233938
1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine
CID 83161369
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79180444
3-pentan-2-yl-3,4-dihydro-2H-chromene
CID 139513640
1-(2,3-dihydro-1H-inden-2-yl)-N-ethylhexan-1-amine
CID 65410934
1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65410695

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine (CID 83161048) is 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine is CCNC(CCCC(C)C)C1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine?
The InChIKey is DKMLIUXBSPCZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-19-17(10-7-8-14(2)3)16-12-15-9-5-6-11-18(15)20-13-16/h5-6,9,11,14,16-17,19H,4,7-8,10,12-13H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine?
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.04, 7 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-ethyl-5-methylhexan-1-amine is sourced from PubChem (CID 83161048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).