1-(1-methylcyclohexyl)-1-(prop-1-en-2-ylamino)propan-2-one

C13H23NO — CID 143353919

IUPAC1-(1-methylcyclohexyl)-1-(prop-1-en-2-ylamino)propan-2-one
SMILESC=C(C)NC(C(C)=O)C1(C)CCCCC1
InChIInChI=1S/C13H23NO/c1-10(2)14-12(11(3)15)13(4)8-6-5-7-9-13/h12,14H,1,5-9H2,2-4H3
InChIKeyMGWHOEFJFIPSLB-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.04
Rot. Bonds4

About 1-(1-methylcyclohexyl)-1-(prop-1-en-2-ylamino)propan-2-one

1-(1-methylcyclohexyl)-1-(prop-1-en-2-ylamino)propan-2-one (PubChem CID 143353919) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)-1-(prop-1-en-2-ylamino)propan-2-one.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)-1-(prop-1-en-2-ylamino)propan-2-one
PubChem CID143353919
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(1-methylcyclohexyl)-1-(prop-1-en-2-ylamino)propan-2-one
SMILESC=C(C)NC(C(C)=O)C1(C)CCCCC1
InChIInChI=1S/C13H23NO/c1-10(2)14-12(11(3)15)13(4)8-6-5-7-9-13/h12,14H,1,5-9H2,2-4H3
InChIKeyMGWHOEFJFIPSLB-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methylcyclohexyl)pentane-2,4-dione
CID 21339007
1-(1-methylcyclohexyl)-N-prop-1-en-2-yl-2-(2,6,6-trimethyl-3-bicyclo[3.1.0]hexanyl)prop-2-en-1-amine
CID 143357601
(2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride
CID 69433180
2-(methylamino)-2-(1-methylcyclopentyl)acetic acid
CID 130965432
(2R)-2-(1-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 67052824
2-methyl-1-(1-methylcyclopentyl)-N-propylprop-2-en-1-amine
CID 105005477
2-(1-methylcyclopentyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 167737694
2-(1-methylcyclohexyl)propanedioic acid
CID 12673903
2-methyl-N-(1-methylcyclohexyl)prop-2-enamide
CID 58186034
1-(1-methylcyclohexyl)ethyl acetate
CID 140967924
methyl 2-amino-2-(1-methylcycloheptyl)acetate
CID 130949608
methyl-[1-[2-(1-methylcyclohexyl)-2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]borinic acid
CID 163833541

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)-1-(prop-1-en-2-ylamino)propan-2-one?
The IUPAC name of 1-(1-methylcyclohexyl)-1-(prop-1-en-2-ylamino)propan-2-one (CID 143353919) is 1-(1-methylcyclohexyl)-1-(prop-1-en-2-ylamino)propan-2-one.
What is the SMILES notation for 1-(1-methylcyclohexyl)-1-(prop-1-en-2-ylamino)propan-2-one?
The canonical SMILES for 1-(1-methylcyclohexyl)-1-(prop-1-en-2-ylamino)propan-2-one is C=C(C)NC(C(C)=O)C1(C)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexyl)-1-(prop-1-en-2-ylamino)propan-2-one?
The InChIKey is MGWHOEFJFIPSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)14-12(11(3)15)13(4)8-6-5-7-9-13/h12,14H,1,5-9H2,2-4H3.
What are the key properties of 1-(1-methylcyclohexyl)-1-(prop-1-en-2-ylamino)propan-2-one?
1-(1-methylcyclohexyl)-1-(prop-1-en-2-ylamino)propan-2-one has a molecular weight of 209.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)-1-(prop-1-en-2-ylamino)propan-2-one is sourced from PubChem (CID 143353919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).