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

C19H33N — CID 44570708

IUPACN-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-2-methylpropan-2-amine
SMILESC=C[C@]1(C)CC[C@@H](C(=C)CNC(C)(C)C)C[C@H]1C(=C)C
InChIInChI=1S/C19H33N/c1-9-19(8)11-10-16(12-17(19)14(2)3)15(4)13-20-18(5,6)7/h9,16-17,20H,1-2,4,10-13H2,3,5-8H3/t16-,17+,19-/m1/s1
InChIKeyBHAFLZQUXZZCIJ-ZIFCJYIRSA-N
MW275.48 g/mol
LogP5.12
Rot. Bonds5

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

N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-2-methylpropan-2-amine (PubChem CID 44570708) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-2-methylpropan-2-amine
PubChem CID44570708
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-2-methylpropan-2-amine
SMILESC=C[C@]1(C)CC[C@@H](C(=C)CNC(C)(C)C)C[C@H]1C(=C)C
InChIInChI=1S/C19H33N/c1-9-19(8)11-10-16(12-17(19)14(2)3)15(4)13-20-18(5,6)7/h9,16-17,20H,1-2,4,10-13H2,3,5-8H3/t16-,17+,19-/m1/s1
InChIKeyBHAFLZQUXZZCIJ-ZIFCJYIRSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
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 N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-2-methylpropan-2-amine (CID 44570708) is N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-2-methylpropan-2-amine is C=C[C@]1(C)CC[C@@H](C(=C)CNC(C)(C)C)C[C@H]1C(=C)C.
What is the InChIKey of N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-2-methylpropan-2-amine?
The InChIKey is BHAFLZQUXZZCIJ-ZIFCJYIRSA-N. The full InChI is InChI=1S/C19H33N/c1-9-19(8)11-10-16(12-17(19)14(2)3)15(4)13-20-18(5,6)7/h9,16-17,20H,1-2,4,10-13H2,3,5-8H3/t16-,17+,19-/m1/s1.
What are the key properties of N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-2-methylpropan-2-amine?
N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-2-methylpropan-2-amine has a molecular weight of 275.48 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-2-methylpropan-2-amine is sourced from PubChem (CID 44570708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).