2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine

C16H25NO — CID 81137015

IUPAC2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine
SMILESCCCC(C)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C16H25NO/c1-5-8-12(2)17-14-11-16(3,4)18-15-10-7-6-9-13(14)15/h6-7,9-10,12,14,17H,5,8,11H2,1-4H3
InChIKeyKLTAPUFLYRYIKX-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.07
Rot. Bonds4

About 2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine

2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine (PubChem CID 81137015) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine
PubChem CID81137015
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine
SMILESCCCC(C)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C16H25NO/c1-5-8-12(2)17-14-11-16(3,4)18-15-10-7-6-9-13(14)15/h6-7,9-10,12,14,17H,5,8,11H2,1-4H3
InChIKeyKLTAPUFLYRYIKX-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine (CID 81137015) is 2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine is CCCC(C)NC1CC(C)(C)Oc2ccccc21.
What is the InChIKey of 2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine?
The InChIKey is KLTAPUFLYRYIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-8-12(2)17-14-11-16(3,4)18-15-10-7-6-9-13(14)15/h6-7,9-10,12,14,17H,5,8,11H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine?
2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine has a molecular weight of 247.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 81137015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).