3-methyl-4-[2-[2-(4-propan-2-ylcyclohexyl)oxypropan-2-yl]cyclopropyl]butan-1-amine

C20H39NO — CID 126581818

IUPAC3-methyl-4-[2-[2-(4-propan-2-ylcyclohexyl)oxypropan-2-yl]cyclopropyl]butan-1-amine
SMILESCC(CCN)CC1CC1C(C)(C)OC1CCC(C(C)C)CC1
InChIInChI=1S/C20H39NO/c1-14(2)16-6-8-18(9-7-16)22-20(4,5)19-13-17(19)12-15(3)10-11-21/h14-19H,6-13,21H2,1-5H3
InChIKeyGIYWKDCFEXPPPS-UHFFFAOYSA-N
MW309.54 g/mol
LogP5.01
Rot. Bonds8

About 3-methyl-4-[2-[2-(4-propan-2-ylcyclohexyl)oxypropan-2-yl]cyclopropyl]butan-1-amine

3-methyl-4-[2-[2-(4-propan-2-ylcyclohexyl)oxypropan-2-yl]cyclopropyl]butan-1-amine (PubChem CID 126581818) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 3-methyl-4-[2-[2-(4-propan-2-ylcyclohexyl)oxypropan-2-yl]cyclopropyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-4-[2-[2-(4-propan-2-ylcyclohexyl)oxypropan-2-yl]cyclopropyl]butan-1-amine
PubChem CID126581818
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name3-methyl-4-[2-[2-(4-propan-2-ylcyclohexyl)oxypropan-2-yl]cyclopropyl]butan-1-amine
SMILESCC(CCN)CC1CC1C(C)(C)OC1CCC(C(C)C)CC1
InChIInChI=1S/C20H39NO/c1-14(2)16-6-8-18(9-7-16)22-20(4,5)19-13-17(19)12-15(3)10-11-21/h14-19H,6-13,21H2,1-5H3
InChIKeyGIYWKDCFEXPPPS-UHFFFAOYSA-N
XLogP5.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-[2-(4-propan-2-ylcyclohexyl)oxypropan-2-yl]cyclopropyl]butan-1-amine?
The IUPAC name of 3-methyl-4-[2-[2-(4-propan-2-ylcyclohexyl)oxypropan-2-yl]cyclopropyl]butan-1-amine (CID 126581818) is 3-methyl-4-[2-[2-(4-propan-2-ylcyclohexyl)oxypropan-2-yl]cyclopropyl]butan-1-amine.
What is the SMILES notation for 3-methyl-4-[2-[2-(4-propan-2-ylcyclohexyl)oxypropan-2-yl]cyclopropyl]butan-1-amine?
The canonical SMILES for 3-methyl-4-[2-[2-(4-propan-2-ylcyclohexyl)oxypropan-2-yl]cyclopropyl]butan-1-amine is CC(CCN)CC1CC1C(C)(C)OC1CCC(C(C)C)CC1.
What is the InChIKey of 3-methyl-4-[2-[2-(4-propan-2-ylcyclohexyl)oxypropan-2-yl]cyclopropyl]butan-1-amine?
The InChIKey is GIYWKDCFEXPPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-14(2)16-6-8-18(9-7-16)22-20(4,5)19-13-17(19)12-15(3)10-11-21/h14-19H,6-13,21H2,1-5H3.
What are the key properties of 3-methyl-4-[2-[2-(4-propan-2-ylcyclohexyl)oxypropan-2-yl]cyclopropyl]butan-1-amine?
3-methyl-4-[2-[2-(4-propan-2-ylcyclohexyl)oxypropan-2-yl]cyclopropyl]butan-1-amine has a molecular weight of 309.54 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-[2-(4-propan-2-ylcyclohexyl)oxypropan-2-yl]cyclopropyl]butan-1-amine is sourced from PubChem (CID 126581818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).