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

C20H33N — CID 25242507

IUPACN-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclopentanamine
SMILESC=C[C@]1(C)CC[C@@H](C(=C)CNC2CCCC2)C[C@H]1C(=C)C
InChIInChI=1S/C20H33N/c1-6-20(5)12-11-17(13-19(20)15(2)3)16(4)14-21-18-9-7-8-10-18/h6,17-19,21H,1-2,4,7-14H2,3,5H3/t17-,19+,20-/m1/s1
InChIKeyKUASOIYSIJIHPU-YZGWKJHDSA-N
MW287.49 g/mol
LogP5.26
Rot. Bonds6

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

N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclopentanamine (PubChem CID 25242507) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclopentanamine
PubChem CID25242507
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclopentanamine
SMILESC=C[C@]1(C)CC[C@@H](C(=C)CNC2CCCC2)C[C@H]1C(=C)C
InChIInChI=1S/C20H33N/c1-6-20(5)12-11-17(13-19(20)15(2)3)16(4)14-21-18-9-7-8-10-18/h6,17-19,21H,1-2,4,7-14H2,3,5H3/t17-,19+,20-/m1/s1
InChIKeyKUASOIYSIJIHPU-YZGWKJHDSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.26
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]cyclopentanamine?
The IUPAC name of N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclopentanamine (CID 25242507) is N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclopentanamine.
What is the SMILES notation for N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclopentanamine?
The canonical SMILES for N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclopentanamine is C=C[C@]1(C)CC[C@@H](C(=C)CNC2CCCC2)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]cyclopentanamine?
The InChIKey is KUASOIYSIJIHPU-YZGWKJHDSA-N. The full InChI is InChI=1S/C20H33N/c1-6-20(5)12-11-17(13-19(20)15(2)3)16(4)14-21-18-9-7-8-10-18/h6,17-19,21H,1-2,4,7-14H2,3,5H3/t17-,19+,20-/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]cyclopentanamine?
N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclopentanamine has a molecular weight of 287.49 g/mol, XLogP of 5.26, 6 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]cyclopentanamine is sourced from PubChem (CID 25242507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).