3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine

C16H24N2O — CID 60725605

IUPAC3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
SMILESCN(C1CCCCC1)C1COc2ccccc2C1N
InChIInChI=1S/C16H24N2O/c1-18(12-7-3-2-4-8-12)14-11-19-15-10-6-5-9-13(15)16(14)17/h5-6,9-10,12,14,16H,2-4,7-8,11,17H2,1H3
InChIKeyUCZBIMAMSMCPOC-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.71
Rot. Bonds2

About 3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine

3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine (PubChem CID 60725605) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine.

Molecular Properties

Compound Name3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
PubChem CID60725605
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
SMILESCN(C1CCCCC1)C1COc2ccccc2C1N
InChIInChI=1S/C16H24N2O/c1-18(12-7-3-2-4-8-12)14-11-19-15-10-6-5-9-13(15)16(14)17/h5-6,9-10,12,14,16H,2-4,7-8,11,17H2,1H3
InChIKeyUCZBIMAMSMCPOC-UHFFFAOYSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 43264901
3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine
CID 61431445
3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 43184438
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 62545588
2-N-methyl-2-N-(3-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 61448156
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine
CID 102725956
(3S)-3-[[cyclohexyl(methyl)sulfamoyl]amino]-2,3-dihydro-1-benzofuran
CID 95592046
(3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 174973153
2-N-cyclohexyl-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79374538
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
3-N-(2-methoxyethyl)-3-N-propan-2-yl-3,4-dihydro-2H-chromene-3,4-diamine
CID 82965010

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine?
The IUPAC name of 3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine (CID 60725605) is 3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine.
What is the SMILES notation for 3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine?
The canonical SMILES for 3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine is CN(C1CCCCC1)C1COc2ccccc2C1N.
What is the InChIKey of 3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine?
The InChIKey is UCZBIMAMSMCPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18(12-7-3-2-4-8-12)14-11-19-15-10-6-5-9-13(15)16(14)17/h5-6,9-10,12,14,16H,2-4,7-8,11,17H2,1H3.
What are the key properties of 3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine?
3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine has a molecular weight of 260.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine is sourced from PubChem (CID 60725605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).