1-[[(3R)-3-(dimethylamino)-2-ethenylcyclohexen-1-yl]-methylamino]butan-2-one

C15H26N2O — CID 143925555

IUPAC1-[[(3R)-3-(dimethylamino)-2-ethenylcyclohexen-1-yl]-methylamino]butan-2-one
SMILESC=CC1=C(N(C)CC(=O)CC)CCC[C@H]1N(C)C
InChIInChI=1S/C15H26N2O/c1-6-12(18)11-17(5)15-10-8-9-14(16(3)4)13(15)7-2/h7,14H,2,6,8-11H2,1,3-5H3/t14-/m1/s1
InChIKeyBLPHYWWKGJNORQ-CQSZACIVSA-N
MW250.39 g/mol
LogP2.45
Rot. Bonds6

About 1-[[(3R)-3-(dimethylamino)-2-ethenylcyclohexen-1-yl]-methylamino]butan-2-one

1-[[(3R)-3-(dimethylamino)-2-ethenylcyclohexen-1-yl]-methylamino]butan-2-one (PubChem CID 143925555) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[[(3R)-3-(dimethylamino)-2-ethenylcyclohexen-1-yl]-methylamino]butan-2-one.

Molecular Properties

Compound Name1-[[(3R)-3-(dimethylamino)-2-ethenylcyclohexen-1-yl]-methylamino]butan-2-one
PubChem CID143925555
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[[(3R)-3-(dimethylamino)-2-ethenylcyclohexen-1-yl]-methylamino]butan-2-one
SMILESC=CC1=C(N(C)CC(=O)CC)CCC[C@H]1N(C)C
InChIInChI=1S/C15H26N2O/c1-6-12(18)11-17(5)15-10-8-9-14(16(3)4)13(15)7-2/h7,14H,2,6,8-11H2,1,3-5H3/t14-/m1/s1
InChIKeyBLPHYWWKGJNORQ-CQSZACIVSA-N
XLogP2.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[(3R)-3-(dimethylamino)-2-ethenylcyclohexen-1-yl]-methylamino]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Propan-2-yl-2,4,7,8-tetrahydroquinolin-3-one
CID 60067173
1-(1-pentyl-2H-pyridin-2-yl)ethanone
CID 69935038
1-(2-Methyl-5,6,7,8-tetrahydroquinolin-1-yl)propan-2-one
CID 91107048
1-[1,5-dimethyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-2-yl]ethanone;ethane
CID 141808424
1-[1,4-dimethyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-2-yl]ethanone
CID 141808440
1-[1,4-dimethyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-2-yl]ethanone;propane
CID 141835292
1-[1,5-dimethyl-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-2-yl]ethanone;propane
CID 141835299
1-[1,4-dimethyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-2-yl]ethanone;ethane
CID 141835302
1-[4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]ethanone
CID 143036444
N,N-dimethylmethanamine;ethane;1-(8-ethyl-2,3,4,7-tetrahydrocyclohepta[b]pyridin-1-yl)butane-2,3-dione
CID 143587859
1-[(2-Ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen
CID 143925702
1-[2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-1-yl]propan-2-one
CID 169642808

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-3-(dimethylamino)-2-ethenylcyclohexen-1-yl]-methylamino]butan-2-one?
The IUPAC name of 1-[[(3R)-3-(dimethylamino)-2-ethenylcyclohexen-1-yl]-methylamino]butan-2-one (CID 143925555) is 1-[[(3R)-3-(dimethylamino)-2-ethenylcyclohexen-1-yl]-methylamino]butan-2-one.
What is the SMILES notation for 1-[[(3R)-3-(dimethylamino)-2-ethenylcyclohexen-1-yl]-methylamino]butan-2-one?
The canonical SMILES for 1-[[(3R)-3-(dimethylamino)-2-ethenylcyclohexen-1-yl]-methylamino]butan-2-one is C=CC1=C(N(C)CC(=O)CC)CCC[C@H]1N(C)C.
What is the InChIKey of 1-[[(3R)-3-(dimethylamino)-2-ethenylcyclohexen-1-yl]-methylamino]butan-2-one?
The InChIKey is BLPHYWWKGJNORQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-12(18)11-17(5)15-10-8-9-14(16(3)4)13(15)7-2/h7,14H,2,6,8-11H2,1,3-5H3/t14-/m1/s1.
What are the key properties of 1-[[(3R)-3-(dimethylamino)-2-ethenylcyclohexen-1-yl]-methylamino]butan-2-one?
1-[[(3R)-3-(dimethylamino)-2-ethenylcyclohexen-1-yl]-methylamino]butan-2-one has a molecular weight of 250.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-3-(dimethylamino)-2-ethenylcyclohexen-1-yl]-methylamino]butan-2-one is sourced from PubChem (CID 143925555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).