1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine

C16H29NO — CID 143811938

IUPAC1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine
SMILESCCC1CC(C2(NC(C)C)CC2)=COC1C(C)C
InChIInChI=1S/C16H29NO/c1-6-13-9-14(10-18-15(13)11(2)3)16(7-8-16)17-12(4)5/h10-13,15,17H,6-9H2,1-5H3
InChIKeyRFGDGIOXJNFXCV-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.87
Rot. Bonds5

About 1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine

1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine (PubChem CID 143811938) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine
PubChem CID143811938
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine
SMILESCCC1CC(C2(NC(C)C)CC2)=COC1C(C)C
InChIInChI=1S/C16H29NO/c1-6-13-9-14(10-18-15(13)11(2)3)16(7-8-16)17-12(4)5/h10-13,15,17H,6-9H2,1-5H3
InChIKeyRFGDGIOXJNFXCV-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine with MolForge

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103029311
1-(3-ethoxycyclobutyl)-4-methylidene-N-propylhexan-2-amine
CID 103169052
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 103169433
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103169434
1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103169435
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
CID 103169438
N-[2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]propan-1-amine
CID 103169439
1-(3-ethoxycyclobutyl)-5-methyl-N-propylhex-5-en-2-amine
CID 103169525
1-(3,4-dihydro-2H-pyran-5-yl)-N,3-dimethylbutan-1-amine
CID 104058585
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 104058586
1-(3,4-dihydro-2H-pyran-5-yl)-3-methyl-N-propylbutan-1-amine
CID 104058587
1-(3,4-dihydro-2H-pyran-5-yl)-N,2-dimethylpropan-1-amine
CID 104058591

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine?
The IUPAC name of 1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine (CID 143811938) is 1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine.
What is the SMILES notation for 1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine?
The canonical SMILES for 1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine is CCC1CC(C2(NC(C)C)CC2)=COC1C(C)C.
What is the InChIKey of 1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine?
The InChIKey is RFGDGIOXJNFXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-6-13-9-14(10-18-15(13)11(2)3)16(7-8-16)17-12(4)5/h10-13,15,17H,6-9H2,1-5H3.
What are the key properties of 1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine?
1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine is sourced from PubChem (CID 143811938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).