2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine

C18H27NO — CID 114712823

IUPAC2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine
SMILESCCCNC1CC(CC)(C2CC2)Oc2ccc(C)cc21
InChIInChI=1S/C18H27NO/c1-4-10-19-16-12-18(5-2,14-7-8-14)20-17-9-6-13(3)11-15(16)17/h6,9,11,14,16,19H,4-5,7-8,10,12H2,1-3H3
InChIKeyNRVZWRBFIOSBJH-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.38
Rot. Bonds5

About 2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine

2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine (PubChem CID 114712823) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine
PubChem CID114712823
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine
SMILESCCCNC1CC(CC)(C2CC2)Oc2ccc(C)cc21
InChIInChI=1S/C18H27NO/c1-4-10-19-16-12-18(5-2,14-7-8-14)20-17-9-6-13(3)11-15(16)17/h6,9,11,14,16,19H,4-5,7-8,10,12H2,1-3H3
InChIKeyNRVZWRBFIOSBJH-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712836
6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 114712825
3'-ethoxy-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825138
2-(ethoxymethyl)-2,6-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114712872
2-ethyl-N-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 82462153
5-methyl-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511864
N-(2-ethyl-2,6-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462158
N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462871
2,2-diethyl-6-methyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82462475
2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine
CID 114710996
2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine
CID 82462162
6-methyl-2-(5-methyloxolan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114712809

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine (CID 114712823) is 2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine is CCCNC1CC(CC)(C2CC2)Oc2ccc(C)cc21.
What is the InChIKey of 2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine?
The InChIKey is NRVZWRBFIOSBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-10-19-16-12-18(5-2,14-7-8-14)20-17-9-6-13(3)11-15(16)17/h6,9,11,14,16,19H,4-5,7-8,10,12H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine?
2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine has a molecular weight of 273.42 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethyl-6-methyl-N-propyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114712823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).