N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine

C15H22N2O — CID 62977569

IUPACN'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CCOc2ccccc21)C1CC1
InChIInChI=1S/C15H22N2O/c1-17(12-6-7-12)10-9-16-14-8-11-18-15-5-3-2-4-13(14)15/h2-5,12,14,16H,6-11H2,1H3
InChIKeyCSSOGEHCTYHWSH-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.19
Rot. Bonds5

About N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine

N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine (PubChem CID 62977569) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
PubChem CID62977569
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CCOc2ccccc21)C1CC1
InChIInChI=1S/C15H22N2O/c1-17(12-6-7-12)10-9-16-14-8-11-18-15-5-3-2-4-13(14)15/h2-5,12,14,16H,6-11H2,1H3
InChIKeyCSSOGEHCTYHWSH-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-N'-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 115418399
(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 94276035
N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine
CID 81142613
(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 7287154
N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 55063038
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
N-(2-cyclopropylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115713897
N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43223509

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine (CID 62977569) is N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine is CN(CCNC1CCOc2ccccc21)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine?
The InChIKey is CSSOGEHCTYHWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17(12-6-7-12)10-9-16-14-8-11-18-15-5-3-2-4-13(14)15/h2-5,12,14,16H,6-11H2,1H3.
What are the key properties of N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine?
N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine has a molecular weight of 246.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62977569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).