2-methyl-1-[2-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-one

C14H27NO — CID 21305164

IUPAC2-methyl-1-[2-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-one
SMILESCC(C)NCC1CCCCC1C(=O)C(C)C
InChIInChI=1S/C14H27NO/c1-10(2)14(16)13-8-6-5-7-12(13)9-15-11(3)4/h10-13,15H,5-9H2,1-4H3
InChIKeyXCOHYYKDAKNQKG-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.02
Rot. Bonds5

About 2-methyl-1-[2-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-one

2-methyl-1-[2-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-one (PubChem CID 21305164) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-methyl-1-[2-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-one
PubChem CID21305164
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-methyl-1-[2-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-one
SMILESCC(C)NCC1CCCCC1C(=O)C(C)C
InChIInChI=1S/C14H27NO/c1-10(2)14(16)13-8-6-5-7-12(13)9-15-11(3)4/h10-13,15H,5-9H2,1-4H3
InChIKeyXCOHYYKDAKNQKG-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-one (CID 21305164) is 2-methyl-1-[2-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-one is CC(C)NCC1CCCCC1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-[2-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-one?
The InChIKey is XCOHYYKDAKNQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-10(2)14(16)13-8-6-5-7-12(13)9-15-11(3)4/h10-13,15H,5-9H2,1-4H3.
What are the key properties of 2-methyl-1-[2-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-one?
2-methyl-1-[2-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-one has a molecular weight of 225.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-one is sourced from PubChem (CID 21305164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).