N,2-dimethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine

C19H31NO — CID 43537155

IUPACN,2-dimethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C)Oc2ccc(C(C)(C)CC(C)(C)C)cc21
InChIInChI=1S/C19H31NO/c1-13-10-16(20-7)15-11-14(8-9-17(15)21-13)19(5,6)12-18(2,3)4/h8-9,11,13,16,20H,10,12H2,1-7H3
InChIKeyYAZJTKKTUVCYOB-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.83
Rot. Bonds3

About N,2-dimethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine

N,2-dimethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43537155) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N,2-dimethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43537155
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN,2-dimethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C)Oc2ccc(C(C)(C)CC(C)(C)C)cc21
InChIInChI=1S/C19H31NO/c1-13-10-16(20-7)15-11-14(8-9-17(15)21-13)19(5,6)12-18(2,3)4/h8-9,11,13,16,20H,10,12H2,1-7H3
InChIKeyYAZJTKKTUVCYOB-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N,2-dimethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 43537155) is N,2-dimethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N,2-dimethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N,2-dimethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine is CNC1CC(C)Oc2ccc(C(C)(C)CC(C)(C)C)cc21.
What is the InChIKey of N,2-dimethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YAZJTKKTUVCYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-13-10-16(20-7)15-11-14(8-9-17(15)21-13)19(5,6)12-18(2,3)4/h8-9,11,13,16,20H,10,12H2,1-7H3.
What are the key properties of N,2-dimethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
N,2-dimethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 289.46 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43537155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).