N'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine

C18H28N2O — CID 104771493

IUPACN'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine
SMILESNCCN(CC1CCOc2ccccc21)C1CCCCC1
InChIInChI=1S/C18H28N2O/c19-11-12-20(16-6-2-1-3-7-16)14-15-10-13-21-18-9-5-4-8-17(15)18/h4-5,8-9,15-16H,1-3,6-7,10-14,19H2
InChIKeyDKWVFYFRIIZNNO-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.15
Rot. Bonds5

About N'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine

N'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine (PubChem CID 104771493) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine
PubChem CID104771493
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine
SMILESNCCN(CC1CCOc2ccccc21)C1CCCCC1
InChIInChI=1S/C18H28N2O/c19-11-12-20(16-6-2-1-3-7-16)14-15-10-13-21-18-9-5-4-8-17(15)18/h4-5,8-9,15-16H,1-3,6-7,10-14,19H2
InChIKeyDKWVFYFRIIZNNO-UHFFFAOYSA-N
XLogP3.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine
CID 104771418
2-[cyclopentyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]acetonitrile
CID 115883271
3-[cyclopropyl(3,4-dihydro-2H-chromen-4-ylmethyl)amino]propanimidamide
CID 104768597
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
N'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine
CID 113451131
N'-cyclopropyl-N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226019
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azepan-2-yl]methanamine
CID 116640577
2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol
CID 104770923
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine
CID 104769014
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine (CID 104771493) is N'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine is NCCN(CC1CCOc2ccccc21)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is DKWVFYFRIIZNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c19-11-12-20(16-6-2-1-3-7-16)14-15-10-13-21-18-9-5-4-8-17(15)18/h4-5,8-9,15-16H,1-3,6-7,10-14,19H2.
What are the key properties of N'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine?
N'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 288.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 104771493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).