2-cycloheptyl-N-methyl-3,4-dihydro-2H-chromen-4-amine

C17H25NO — CID 114712054

IUPAC2-cycloheptyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C2CCCCCC2)Oc2ccccc21
InChIInChI=1S/C17H25NO/c1-18-15-12-17(13-8-4-2-3-5-9-13)19-16-11-7-6-10-14(15)16/h6-7,10-11,13,15,17-18H,2-5,8-9,12H2,1H3
InChIKeyHMACEICFKLDEBU-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.07
Rot. Bonds2

About 2-cycloheptyl-N-methyl-3,4-dihydro-2H-chromen-4-amine

2-cycloheptyl-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712054) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-cycloheptyl-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-cycloheptyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712054
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-cycloheptyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(C2CCCCCC2)Oc2ccccc21
InChIInChI=1S/C17H25NO/c1-18-15-12-17(13-8-4-2-3-5-9-13)19-16-11-7-6-10-14(15)16/h6-7,10-11,13,15,17-18H,2-5,8-9,12H2,1H3
InChIKeyHMACEICFKLDEBU-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710547
2-cyclopropyl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712990
N,6-dimethyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114712477
2-(4-methylcyclohexyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114712383
2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114711017
2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712012
6-fluoro-N-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114710425
7-bromo-2-cyclohex-3-en-1-yl-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711641
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
2-piperidin-4-yl-3,4-dihydro-2H-chromen-4-ol
CID 126844229
2-cyclohex-3-en-1-yl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712965
2-cyclohex-3-en-1-yl-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710914

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-cycloheptyl-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114712054) is 2-cycloheptyl-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-cycloheptyl-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-cycloheptyl-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(C2CCCCCC2)Oc2ccccc21.
What is the InChIKey of 2-cycloheptyl-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is HMACEICFKLDEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-18-15-12-17(13-8-4-2-3-5-9-13)19-16-11-7-6-10-14(15)16/h6-7,10-11,13,15,17-18H,2-5,8-9,12H2,1H3.
What are the key properties of 2-cycloheptyl-N-methyl-3,4-dihydro-2H-chromen-4-amine?
2-cycloheptyl-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 259.39 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).