2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N,N-diethylprop-2-en-1-amine

C19H33N — CID 44570774

IUPAC2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N,N-diethylprop-2-en-1-amine
SMILESC=C[C@]1(C)CC[C@@H](C(=C)CN(CC)CC)C[C@H]1C(=C)C
InChIInChI=1S/C19H33N/c1-8-19(7)12-11-17(13-18(19)15(4)5)16(6)14-20(9-2)10-3/h8,17-18H,1,4,6,9-14H2,2-3,5,7H3/t17-,18+,19-/m1/s1
InChIKeySSLYKOZLNJMUCR-CEXWTWQISA-N
MW275.48 g/mol
LogP5.07
Rot. Bonds7

About 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N,N-diethylprop-2-en-1-amine

2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N,N-diethylprop-2-en-1-amine (PubChem CID 44570774) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N,N-diethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N,N-diethylprop-2-en-1-amine
PubChem CID44570774
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N,N-diethylprop-2-en-1-amine
SMILESC=C[C@]1(C)CC[C@@H](C(=C)CN(CC)CC)C[C@H]1C(=C)C
InChIInChI=1S/C19H33N/c1-8-19(7)12-11-17(13-18(19)15(4)5)16(6)14-20(9-2)10-3/h8,17-18H,1,4,6,9-14H2,2-3,5,7H3/t17-,18+,19-/m1/s1
InChIKeySSLYKOZLNJMUCR-CEXWTWQISA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N,N-diethylprop-2-en-1-amine?
The IUPAC name of 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N,N-diethylprop-2-en-1-amine (CID 44570774) is 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N,N-diethylprop-2-en-1-amine.
What is the SMILES notation for 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N,N-diethylprop-2-en-1-amine?
The canonical SMILES for 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N,N-diethylprop-2-en-1-amine is C=C[C@]1(C)CC[C@@H](C(=C)CN(CC)CC)C[C@H]1C(=C)C.
What is the InChIKey of 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N,N-diethylprop-2-en-1-amine?
The InChIKey is SSLYKOZLNJMUCR-CEXWTWQISA-N. The full InChI is InChI=1S/C19H33N/c1-8-19(7)12-11-17(13-18(19)15(4)5)16(6)14-20(9-2)10-3/h8,17-18H,1,4,6,9-14H2,2-3,5,7H3/t17-,18+,19-/m1/s1.
What are the key properties of 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N,N-diethylprop-2-en-1-amine?
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N,N-diethylprop-2-en-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N,N-diethylprop-2-en-1-amine is sourced from PubChem (CID 44570774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).