N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine

C18H27NO — CID 81137115

IUPACN-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCC1(C)CC(NC2CCCCCC2)c2ccccc2O1
InChIInChI=1S/C18H27NO/c1-18(2)13-16(15-11-7-8-12-17(15)20-18)19-14-9-5-3-4-6-10-14/h7-8,11-12,14,16,19H,3-6,9-10,13H2,1-2H3
InChIKeyZCPYFBJBFKNNNE-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.60
Rot. Bonds2

About N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine

N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 81137115) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID81137115
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCC1(C)CC(NC2CCCCCC2)c2ccccc2O1
InChIInChI=1S/C18H27NO/c1-18(2)13-16(15-11-7-8-12-17(15)20-18)19-14-9-5-3-4-6-10-14/h7-8,11-12,14,16,19H,3-6,9-10,13H2,1-2H3
InChIKeyZCPYFBJBFKNNNE-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine
CID 81137288
N-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 113262696
4-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]pyrrolidin-2-one
CID 106182941
5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one
CID 81140242
N-(2-cyclopropyloxolan-3-yl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 103905886
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxamide
CID 119331744
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115728687
N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine
CID 81142613
2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
CID 115697977
2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-3,4-dihydrochromen-4-amine
CID 106210305
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol
CID 81136488

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine (CID 81137115) is N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine is CC1(C)CC(NC2CCCCCC2)c2ccccc2O1.
What is the InChIKey of N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is ZCPYFBJBFKNNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(2)13-16(15-11-7-8-12-17(15)20-18)19-14-9-5-3-4-6-10-14/h7-8,11-12,14,16,19H,3-6,9-10,13H2,1-2H3.
What are the key properties of N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 273.42 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 81137115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).