N-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine

C16H21NO — CID 113262696

IUPACN-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCC1(C)CC(NC2CC=CC2)c2ccccc2O1
InChIInChI=1S/C16H21NO/c1-16(2)11-14(17-12-7-3-4-8-12)13-9-5-6-10-15(13)18-16/h3-6,9-10,12,14,17H,7-8,11H2,1-2H3
InChIKeyZHUIWSUPSJPJTM-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.60
Rot. Bonds2

About N-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine

N-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 113262696) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID113262696
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCC1(C)CC(NC2CC=CC2)c2ccccc2O1
InChIInChI=1S/C16H21NO/c1-16(2)11-14(17-12-7-3-4-8-12)13-9-5-6-10-15(13)18-16/h3-6,9-10,12,14,17H,7-8,11H2,1-2H3
InChIKeyZHUIWSUPSJPJTM-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81137115
2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine
CID 81137288
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
3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol
CID 81338296
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol
CID 81136488
2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
CID 115697977
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-3,4-dihydrochromen-4-amine
CID 106210305
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115728687
2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine
CID 81137015

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine (CID 113262696) is N-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine is CC1(C)CC(NC2CC=CC2)c2ccccc2O1.
What is the InChIKey of N-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is ZHUIWSUPSJPJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-16(2)11-14(17-12-7-3-4-8-12)13-9-5-6-10-15(13)18-16/h3-6,9-10,12,14,17H,7-8,11H2,1-2H3.
What are the key properties of N-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine?
N-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 243.35 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-2,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 113262696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).