N,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

C14H21NO — CID 61037728

IUPACN,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2c(C)ccc(C(C)C)c21
InChIInChI=1S/C14H21NO/c1-9(2)11-6-5-10(3)14-13(11)12(15-4)7-8-16-14/h5-6,9,12,15H,7-8H2,1-4H3
InChIKeyOAEKMPVDZAJHRO-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.16
Rot. Bonds2

About N,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

N,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 61037728) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID61037728
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2c(C)ccc(C(C)C)c21
InChIInChI=1S/C14H21NO/c1-9(2)11-6-5-10(3)14-13(11)12(15-4)7-8-16-14/h5-6,9,12,15H,7-8H2,1-4H3
InChIKeyOAEKMPVDZAJHRO-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 61037728) is N,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is CNC1CCOc2c(C)ccc(C(C)C)c21.
What is the InChIKey of N,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OAEKMPVDZAJHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9(2)11-6-5-10(3)14-13(11)12(15-4)7-8-16-14/h5-6,9,12,15H,7-8H2,1-4H3.
What are the key properties of N,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
N,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 219.33 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 61037728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).