(4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine

C11H16N2O — CID 130673760

IUPAC(4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine
SMILESCN(C)c1cccc2c1OCC[C@@H]2N
InChIInChI=1S/C11H16N2O/c1-13(2)10-5-3-4-8-9(12)6-7-14-11(8)10/h3-5,9H,6-7,12H2,1-2H3/t9-/m0/s1
InChIKeyAQWIGHUGWXKMSK-VIFPVBQESA-N
MW192.26 g/mol
LogP1.53
Rot. Bonds1

About (4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine

(4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine (PubChem CID 130673760) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine.

Molecular Properties

Compound Name(4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine
PubChem CID130673760
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine
SMILESCN(C)c1cccc2c1OCC[C@@H]2N
InChIInChI=1S/C11H16N2O/c1-13(2)10-5-3-4-8-9(12)6-7-14-11(8)10/h3-5,9H,6-7,12H2,1-2H3/t9-/m0/s1
InChIKeyAQWIGHUGWXKMSK-VIFPVBQESA-N
XLogP1.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine?
The IUPAC name of (4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine (CID 130673760) is (4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine.
What is the SMILES notation for (4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine?
The canonical SMILES for (4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine is CN(C)c1cccc2c1OCC[C@@H]2N.
What is the InChIKey of (4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine?
The InChIKey is AQWIGHUGWXKMSK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O/c1-13(2)10-5-3-4-8-9(12)6-7-14-11(8)10/h3-5,9H,6-7,12H2,1-2H3/t9-/m0/s1.
What are the key properties of (4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine?
(4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine has a molecular weight of 192.26 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine is sourced from PubChem (CID 130673760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).