N',2,2-trimethyl-N'-(3-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine

C16H26N2O — CID 104524608

IUPACN',2,2-trimethyl-N'-(3-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
SMILESCC1COc2ccccc2C1N(C)CC(C)(C)CN
InChIInChI=1S/C16H26N2O/c1-12-9-19-14-8-6-5-7-13(14)15(12)18(4)11-16(2,3)10-17/h5-8,12,15H,9-11,17H2,1-4H3
InChIKeyBKEJCVOKBVTQCT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.67
Rot. Bonds4

About N',2,2-trimethyl-N'-(3-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine

N',2,2-trimethyl-N'-(3-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine (PubChem CID 104524608) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(3-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(3-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
PubChem CID104524608
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN',2,2-trimethyl-N'-(3-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
SMILESCC1COc2ccccc2C1N(C)CC(C)(C)CN
InChIInChI=1S/C16H26N2O/c1-12-9-19-14-8-6-5-7-13(14)15(12)18(4)11-16(2,3)10-17/h5-8,12,15H,9-11,17H2,1-4H3
InChIKeyBKEJCVOKBVTQCT-UHFFFAOYSA-N
XLogP2.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N',2,2-trimethyl-N'-(3-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(3-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-(3-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine (CID 104524608) is N',2,2-trimethyl-N'-(3-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-(3-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-(3-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine is CC1COc2ccccc2C1N(C)CC(C)(C)CN.
What is the InChIKey of N',2,2-trimethyl-N'-(3-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine?
The InChIKey is BKEJCVOKBVTQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-9-19-14-8-6-5-7-13(14)15(12)18(4)11-16(2,3)10-17/h5-8,12,15H,9-11,17H2,1-4H3.
What are the key properties of N',2,2-trimethyl-N'-(3-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine?
N',2,2-trimethyl-N'-(3-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-(3-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine is sourced from PubChem (CID 104524608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).