2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine

C18H27NO — CID 81137288

IUPAC2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine
SMILESCC1CCC(NC2CC(C)(C)Oc3ccccc32)CC1
InChIInChI=1S/C18H27NO/c1-13-8-10-14(11-9-13)19-16-12-18(2,3)20-17-7-5-4-6-15(16)17/h4-7,13-14,16,19H,8-12H2,1-3H3
InChIKeyUXFKDPJQVFBVCD-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.46
Rot. Bonds2

About 2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine

2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine (PubChem CID 81137288) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine
PubChem CID81137288
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine
SMILESCC1CCC(NC2CC(C)(C)Oc3ccccc32)CC1
InChIInChI=1S/C18H27NO/c1-13-8-10-14(11-9-13)19-16-12-18(2,3)20-17-7-5-4-6-15(16)17/h4-7,13-14,16,19H,8-12H2,1-3H3
InChIKeyUXFKDPJQVFBVCD-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81137115
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
2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine
CID 81137015
N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114712239
2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydrochromen-4-amine
CID 81139369
2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine
CID 81142463
N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115704436
N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine
CID 81142613
3-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1,2,4-thiadiazol-5-amine
CID 133363274

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine (CID 81137288) is 2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine is CC1CCC(NC2CC(C)(C)Oc3ccccc32)CC1.
What is the InChIKey of 2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine?
The InChIKey is UXFKDPJQVFBVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-8-10-14(11-9-13)19-16-12-18(2,3)20-17-7-5-4-6-15(16)17/h4-7,13-14,16,19H,8-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine?
2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine has a molecular weight of 273.42 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methylcyclohexyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 81137288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).